3-[4-(4-methoxyphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 3-[4-(4-methoxyphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[4-(4-methoxyphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoic acid CAS Name: 3-[4-(4-methoxyphenyl)sulfonyl-5-phenyl-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(4-methoxyphenyl)sulfonyl-5-phenyltriazol-1-yl]benzoic acid Traditional Name: 3-[4-(4-methoxyphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoic acid Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5S/c1-30-18-10-12-19(13-11-18)31(28,29)21-20(15-6-3-2-4-7-15)25(24-23-21)17-9-5-8-16(14-17)22(26)27/h2-14H,1H3,(H,26,27)