N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]isonipecotamide Formula: C27H35N3O6S2 MolecularWeight: 561.7133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6S2/c1-20-10-11-24(19-26(20)38(35,36)29-14-5-3-4-6-15-29)28-27(32)22-12-16-30(17-13-22)37(33,34)25-9-7-8-23(18-25)21(2)31/h7-11,18-19,22H,3-6,12-17H2,1-2H3,(H,28,32)