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

Systemtic Name: 3-[5-(4-bromophenyl)-4-(4-methoxyphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[5-(4-bromophenyl)-4-(4-methoxyphenyl)sulfonyl-triazol-1-yl]benzoic acid CAS Name: 3-[5-(4-bromophenyl)-4-(4-methoxyphenyl)sulfonyl-1-triazolyl]benzoic acid IUPAC Name: 3-[5-(4-bromophenyl)-4-(4-methoxyphenyl)sulfonyltriazol-1-yl]benzoic acid Traditional Name: 3-[5-(4-bromophenyl)-4-(4-methoxyphenyl)sulfonyl-triazol-1-yl]benzoic acid Formula: C22H16BrN3O5S MolecularWeight: 514.34854

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O5S/c1-31-18-9-11-19(12-10-18)32(29,30)21-20(14-5-7-16(23)8-6-14)26(25-24-21)17-4-2-3-15(13-17)22(27)28/h2-13H,1H3,(H,27,28)