methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-1,2,3-triazol-1-yl]sulfonyl]benzoate; methyl 2-sulfamoylbenzoate

Systemtic Name: methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-1,2,3-triazol-1-yl]sulfonyl]benzoate; methyl 2-sulfamoylbenzoate Openeye Name: methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoate; methyl 2-sulfamoylbenzoate CAS Name: 2-[[3-(4,6-dimethyl-2-pyrimidinyl)-2H-triazol-1-yl]sulfonyl]benzoic acid methyl ester; 2-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoate; methyl 2-sulfamoylbenzoate Traditional Name: 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoic acid methyl ester; 2-sulfamoylbenzoic acid methyl ester Formula: C24H26N6O8S2 MolecularWeight: 590.62864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN(N2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C.COC(=O)C1=CC=CC=C1S(=O)(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN(N2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C.COC(=O)C1=CC=CC=C1S(=O)(=O)N

InChI

InChI=1S/C16H17N5O4S.C8H9NO4S/c1-11-10-12(2)18-16(17-11)20-8-9-21(19-20)26(23,24)14-7-5-4-6-13(14)15(22)25-3;1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h4-10,19H,1-3H3;2-5H,1H3,(H2,9,11,12)