Marvin 01301214062D 31 33 0 0 0 0 999 V2000 9.0345 -25.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 -24.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 -26.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3402 -25.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 -25.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 -25.3288 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8785 -24.5751 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7290 -25.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0547 -24.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7692 -25.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4837 -24.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1981 -25.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4837 -23.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9126 -24.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9126 -23.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6271 -25.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6271 -23.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 -24.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 -23.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0561 -23.4876 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6436 -22.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4686 -24.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7706 -23.0751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4851 -23.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1995 -23.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4851 -24.3127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9140 -23.4877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1995 -24.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9140 -24.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1996 -22.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9140 -21.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 7 6 1 0 0 0 0 8 6 2 0 0 0 0 1 6 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 19 18 2 0 0 0 0 12 14 1 0 0 0 0 21 20 2 0 0 0 0 22 20 2 0 0 0 0 23 20 1 0 0 0 0 19 20 1 0 0 0 0 25 24 1 0 0 0 0 26 24 2 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 28 2 0 0 0 0 23 24 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 2 6 1 7 -1 M END > CHEBI:63770 > necrosulfonamide > A sulfonamide that is a 3-methoxypyrazin-2-yl derivative of (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide. Necrosulfonamide specifically blocks necrosis downstream of the activation of RIP3 (the receptor-interacting serine-threonine kinase 3), a key signalling molecule in the programmed necrosis (necroptosis) pathway. > 3 > (E)-N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide > (2E)-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-(5-nitrothiophen-2-yl)prop-2-enamide > C18H15N5O6S2 > 461.47200 > 461.04638 > 0 > COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1 > InChI=1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+ > FNPPHVLYVGMZMZ-XBXARRHUSA-N > 22265413; 29614353; 30391637; 31998134; 32196619; 32936609; 33612303; 34119493; 35263988; 35588872; 35721316; 36202154; 36347275; 36381100; 37258791 $$$$