N-[(2S)-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-methyl-2-(3-methylsulfonylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(3-methylsulfonylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(3-methylsulfonylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-2-(3-mesylanilino)-1-methyl-ethyl]-3-nitro-benzamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-11(18-17(22)12-5-3-7-14(9-12)20(23)24)16(21)19-13-6-4-8-15(10-13)27(2,25)26/h3-11H,1-2H3,(H,18,22)(H,19,21)/t11-/m0/s1