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

Systemtic Name: 4-[2-[(4-ethylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-ethylsulfonylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-ethylsulfonylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-ethylsulfonylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-esylanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S2/c1-2-28(25,26)13-6-4-12(5-7-13)19-16(21)10-27-15-8-3-11(17(18)22)9-14(15)20(23)24/h3-9H,2,10H2,1H3,(H2,18,22)(H,19,21)