N-(4-methoxy-3-sulfamoyl-phenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-(4-methoxy-3-sulfamoyl-phenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(4-methoxy-3-sulfamoyl-phenyl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-(4-methoxy-3-sulfamoylphenyl)-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(4-methoxy-3-sulfamoyl-phenyl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C22H19N3O7S2 MolecularWeight: 501.53216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C22H19N3O7S2/c1-32-18-9-8-14(12-20(18)34(23,30)31)24-22(27)16-6-4-3-5-15(16)21(26)13-7-10-19(33-2)17(11-13)25(28)29/h3-12H,1-2H3,(H,24,27)(H2,23,30,31)