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

Systemtic Name: N-[2-(butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-(butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[butylamino(oxo)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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