4-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-methylsulfonylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(4-mesylanilino)ethyl]thio]-3-nitro-benzamide Formula: C16H15N3O6S2 MolecularWeight: 409.4368

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6S2/c1-27(24,25)12-5-3-11(4-6-12)18-15(20)9-26-14-7-2-10(16(17)21)8-13(14)19(22)23/h2-8H,9H2,1H3,(H2,17,21)(H,18,20)