N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-benzylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-benzylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-benzylsulfonyl-isonipecotamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c30-25(22-14-18-29(19-15-22)34(32,33)20-21-10-4-3-5-11-21)27-24-13-7-6-12-23(24)26(31)28-16-8-1-2-9-17-28/h3-7,10-13,22H,1-2,8-9,14-20H2,(H,27,30)