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

Systemtic Name: 1-(3-phenylpropylsulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3-phenylpropylsulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[oxo(propylamino)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-phenylpropylsulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-phenylpropylsulfonyl)-N-[2-(propylcarbamoyl)phenyl]isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-2-16-26-25(30)22-12-6-7-13-23(22)27-24(29)21-14-17-28(18-15-21)33(31,32)19-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,21H,2,8,11,14-19H2,1H3,(H,26,30)(H,27,29)