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

Systemtic Name: (3S)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-3-methylsulfanyl-1-(3-pyridylcarbamoyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(3-pyridinylamino)butan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-3-(methylthio)-1-(3-pyridylcarbamoyl)propyl]nipecotamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CN=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S2/c1-31-14-11-20(22(28)24-18-8-5-12-23-15-18)25-21(27)17-7-6-13-26(16-17)32(29,30)19-9-3-2-4-10-19/h2-5,8-10,12,15,17,20H,6-7,11,13-14,16H2,1H3,(H,24,28)(H,25,27)/t17-,20-/m0/s1