N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(phenylcarbonyl)piperidin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(phenylcarbonyl)piperidin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-benzoyl-1-piperidyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-benzoyl-1-piperidinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-benzoylpiperidin-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-benzoylpiperidino)acetamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-21-11-12-24(19-25(21)35(33,34)30-15-7-2-3-8-16-30)28-26(31)20-29-17-13-23(14-18-29)27(32)22-9-5-4-6-10-22/h4-6,9-12,19,23H,2-3,7-8,13-18,20H2,1H3,(H,28,31)