(3S)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-3-methylsulfanyl-1-(pyrrolidine-1-carbonyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-3-(methylthio)-1-(pyrrolidine-1-carbonyl)propyl]nipecotamide Formula: C21H31N3O4S2 MolecularWeight: 453.61854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCCC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S2/c1-29-15-11-19(21(26)23-12-5-6-13-23)22-20(25)17-8-7-14-24(16-17)30(27,28)18-9-3-2-4-10-18/h2-4,9-10,17,19H,5-8,11-16H2,1H3,(H,22,25)/t17-,19-/m0/s1