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

Systemtic Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(isobutylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(2-methylpropylamino)-oxomethyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(isobutylcarbamoyl)phenyl]isonipecotamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S/c1-18(2)16-25-24(29)21-10-6-7-11-22(21)26-23(28)20-12-14-27(15-13-20)32(30,31)17-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,29)(H,26,28)