N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-2-(1-piperidyl)ethyl]acetamide CAS Name: N-[(2S)-3-[(3-nitrophenyl)thio]-1-oxo-1-(1-piperidinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-keto-1-[[(3-nitrophenyl)thio]methyl]-2-piperidino-ethyl]acetamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCC2

InChI

InChI=1S/C16H21N3O4S/c1-12(20)17-15(16(21)18-8-3-2-4-9-18)11-24-14-7-5-6-13(10-14)19(22)23/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,17,20)/t15-/m1/s1