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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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