methyl 2-[[benzotriazol-1-ylmethyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[benzotriazol-1-ylmethyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]benzoate Openeye Name: methyl 2-[[benzotriazol-1-ylmethyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]benzoate CAS Name: 2-[[[1-benzotriazolylmethyl-(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[benzotriazol-1-ylmethyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]benzoate Traditional Name: 2-[[benzotriazol-1-ylmethyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]benzoic acid methyl ester Formula: C22H21N7O5S MolecularWeight: 495.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CN2C3=CC=CC=C3N=N2)C(=O)NS(=O)(=O)C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CN2C3=CC=CC=C3N=N2)C(=O)NS(=O)(=O)C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C22H21N7O5S/c1-14-12-15(2)24-21(23-14)28(13-29-18-10-6-5-9-17(18)25-27-29)22(31)26-35(32,33)19-11-7-4-8-16(19)20(30)34-3/h4-12H,13H2,1-3H3,(H,26,31)