N-[4-(2-methylpropanoylamino)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[4-(isobutyrylamino)phenyl]isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-16(2)21(26)23-18-8-10-19(11-9-18)24-22(27)17-12-14-25(15-13-17)30(28,29)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27)