1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(isobutyrylamino)benzyl]isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C)C

InChI

InChI=1S/C25H33N3O4S/c1-17(2)24(29)27-22-7-5-6-20(15-22)16-26-25(30)21-10-12-28(13-11-21)33(31,32)23-9-8-18(3)19(4)14-23/h5-9,14-15,17,21H,10-13,16H2,1-4H3,(H,26,30)(H,27,29)