null CDK 0224162333 null 30 33 0 0 0 0 0 0 0 0999 V2000 4.8946 -4.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -5.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -6.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -6.6937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2272 -5.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -7.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3467 -5.6541 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6016 -6.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1313 -5.3992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 -4.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0874 -4.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7005 -4.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7444 -5.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4851 -4.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6567 -3.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0982 -5.1864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8829 -4.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4959 -5.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3244 -6.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5398 -6.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -5.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 -6.8425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7221 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3352 -7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1637 -7.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3791 -8.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7660 -7.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 M END > CHEBI:109522 > [1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone > 2 > C21H34N4O4S > 438.586 > 438.23008 > 0 > CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)N4CCCCC4 > InChI=1S/C21H34N4O4S/c1-16-20(17(2)29-22-16)30(27,28)25-14-6-18(7-15-25)21(26)24-12-8-19(9-13-24)23-10-4-3-5-11-23/h18-19H,3-15H2,1-2H3 > ZUGPWZFCZDOZIC-UHFFFAOYSA-N > LSM-20920 $$$$