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

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-3-17(2)26-24(30)21-6-4-5-7-22(21)27-23(29)19-12-14-28(15-13-19)33(31,32)20-10-8-18(16-25)9-11-20/h4-11,17,19H,3,12-15H2,1-2H3,(H,26,30)(H,27,29)