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

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-3-18(2)25-24(29)21-11-7-8-12-22(21)26-23(28)20-13-15-27(16-14-20)32(30,31)17-19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,29)(H,26,28)