methyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid methyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O4S2/c1-21-11-18-19-17(21)26-14-7-5-13(6-8-14)20-27(23,24)15-9-3-12(4-10-15)16(22)25-2/h3-11,20H,1-2H3