1-(phenylsulfonyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-2-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide Traditional Name: 1-besyl-N-[4-(isopropylcarbamoylamino)benzyl]pipecolinamide Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c1-17(2)25-23(29)26-19-13-11-18(12-14-19)16-24-22(28)21-10-6-7-15-27(21)32(30,31)20-8-4-3-5-9-20/h3-5,8-9,11-14,17,21H,6-7,10,15-16H2,1-2H3,(H,24,28)(H2,25,26,29)