N-[[5-[(4-chlorophenyl)sulfamoyl]-2-oxidanyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[5-[(4-chlorophenyl)sulfamoyl]-2-oxidanyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxy-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxy-phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H17ClN4O6S2 MolecularWeight: 520.96588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H17ClN4O6S2/c1-12-16(3-2-4-18(12)26(29)30)20(28)24-21(33)23-17-11-15(9-10-19(17)27)34(31,32)25-14-7-5-13(22)6-8-14/h2-11,25,27H,1H3,(H2,23,24,28,33)