N-[(2R)-1-(azepan-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-(azepan-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1R)-2-(azepan-1-yl)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-1-(1-azepanyl)-3-[(3-nitrophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2R)-1-(azepan-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1R)-2-(azepan-1-yl)-2-keto-1-[[(3-nitrophenyl)thio]methyl]ethyl]acetamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCCC2

InChI

InChI=1S/C17H23N3O4S/c1-13(21)18-16(17(22)19-9-4-2-3-5-10-19)12-25-15-8-6-7-14(11-15)20(23)24/h6-8,11,16H,2-5,9-10,12H2,1H3,(H,18,21)/t16-/m0/s1