3-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C3=NNC(=N3)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C3=NNC(=N3)C4CC4

InChI

InChI=1S/C19H18N4O4S/c1-11-6-7-13(19(24)25)10-16(11)28(26,27)23-15-5-3-2-4-14(15)18-20-17(21-22-18)12-8-9-12/h2-7,10,12,23H,8-9H2,1H3,(H,24,25)(H,20,21,22)