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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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