1-[4-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(4-mesyl-1,4-diazepane-1-carbonyl)piperidino]sulfonylphenyl]ethanone Formula: C20H29N3O6S2 MolecularWeight: 471.59076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O6S2/c1-16(24)17-4-6-19(7-5-17)31(28,29)23-12-8-18(9-13-23)20(25)21-10-3-11-22(15-14-21)30(2,26)27/h4-7,18H,3,8-15H2,1-2H3