(5-chloranyl-4-methyl-2-sulfamoyl-phenyl) (1Z)-4-methyl-N-[(4-nitrophenyl)sulfonylamino]benzenecarboximidothioate

Systemtic Name: (5-chloranyl-4-methyl-2-sulfamoyl-phenyl) (1Z)-4-methyl-N-[(4-nitrophenyl)sulfonylamino]benzenecarboximidothioate Openeye Name: (5-chloro-4-methyl-2-sulfamoyl-phenyl) (1Z)-4-methyl-N-[(4-nitrophenyl)sulfonylamino]benzenecarboximidothioate CAS Name: (1Z)-4-methyl-N-[(4-nitrophenyl)sulfonylamino]benzenecarboximidothioic acid (5-chloro-4-methyl-2-sulfamoylphenyl) ester IUPAC Name: (5-chloro-4-methyl-2-sulfamoylphenyl) (1Z)-4-methyl-N-[(4-nitrophenyl)sulfonylamino]benzenecarboximidothioate Traditional Name: (1Z)-4-methyl-N-(nosylamino)benzenecarboximidothioic acid (5-chloro-4-methyl-2-sulfamoyl-phenyl) ester Formula: C21H19ClN4O6S3 MolecularWeight: 555.04676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N/NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N

InChI

InChI=1S/C21H19ClN4O6S3/c1-13-3-5-15(6-4-13)21(33-19-12-18(22)14(2)11-20(19)34(23,29)30)24-25-35(31,32)17-9-7-16(8-10-17)26(27)28/h3-12,25H,1-2H3,(H2,23,29,30)/b24-21-