N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-o-toluoyl-isonipecotamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-20-9-5-6-10-24(20)27(32)29-17-13-22(14-18-29)26(31)28-23-12-11-21(2)25(19-23)35(33,34)30-15-7-3-4-8-16-30/h5-6,9-12,19,22H,3-4,7-8,13-18H2,1-2H3,(H,28,31)