3-[[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]sulfamoyl]benzoic acid CAS Name: 3-[[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)-4-pyrazolyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]sulfamoyl]benzoic acid Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)N2C=NN=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCN1C(=C(C(=N1)N2C=NN=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C16H18N6O4S/c1-3-7-22-11(2)14(15(19-22)21-9-17-18-10-21)20-27(25,26)13-6-4-5-12(8-13)16(23)24/h4-6,8-10,20H,3,7H2,1-2H3,(H,23,24)