methyl 4-methyl-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoate

Systemtic Name: methyl 4-methyl-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoate Openeye Name: methyl 4-methyl-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoate CAS Name: 4-methyl-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoate Traditional Name: 4-methyl-3-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid methyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O6S2/c1-11-3-6-13(16(19)24-2)9-15(11)26(22,23)18-10-12-4-7-14(8-5-12)25(17,20)21/h3-9,18H,10H2,1-2H3,(H2,17,20,21)