4-[2-[(4-methoxy-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methoxy-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-methoxy-3-sulfamoyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-methoxy-3-sulfamoylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-methoxy-3-sulfamoylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(4-methoxy-3-sulfamoyl-anilino)ethyl]thio]-3-nitro-benzamide Formula: C16H16N4O7S2 MolecularWeight: 440.45084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H16N4O7S2/c1-27-12-4-3-10(7-14(12)29(18,25)26)19-15(21)8-28-13-5-2-9(16(17)22)6-11(13)20(23)24/h2-7H,8H2,1H3,(H2,17,22)(H,19,21)(H2,18,25,26)