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

Systemtic Name: (3S)-N-[(2S)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-(cyclopentylcarbamoyl)-3-methylsulfanyl-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(cyclopentylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-1-(cyclopentylcarbamoyl)-3-(methylthio)propyl]nipecotamide Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H33N3O4S2/c1-30-15-13-20(22(27)23-18-9-5-6-10-18)24-21(26)17-8-7-14-25(16-17)31(28,29)19-11-3-2-4-12-19/h2-4,11-12,17-18,20H,5-10,13-16H2,1H3,(H,23,27)(H,24,26)/t17-,20-/m0/s1