null CDK 0224162310 null 31 33 0 0 0 0 0 0 0 0999 V2000 -3.0789 -7.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 -7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 -5.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -5.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -4.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 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 7 2 0 0 0 0 7 2 1 0 0 0 0 5 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 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 15 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 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 31 1 0 0 0 0 31 26 1 0 0 0 0 M END > CHEBI:100464 > 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide > 2 > C22H33N3O5S > 451.581 > 451.21409 > 0 > CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3 > InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20-,21+/m1/s1 > VUOOERVJSWLFKU-NRSPTQNISA-N > LSM-11838 $$$$