N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(3-phenylpropylsulfonyl)-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: 1-(3-phenylpropylsulfonyl)-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4S/c1-3-20(2)27-26(31)23-13-7-8-14-24(23)28-25(30)22-15-17-29(18-16-22)34(32,33)19-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-14,20,22H,3,9,12,15-19H2,1-2H3,(H,27,31)(H,28,30)