(3S)-N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-keto-ethyl]-1-besyl-nipecotamide Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C24H29N3O4S/c28-23(19-10-7-15-27(17-19)32(30,31)21-11-5-2-6-12-21)26-22(24(29)25-20-13-14-20)16-18-8-3-1-4-9-18/h1-6,8-9,11-12,19-20,22H,7,10,13-17H2,(H,25,29)(H,26,28)/t19-,22-/m0/s1