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

Systemtic Name: 3-[5-(4-bromophenyl)-4-(3-methoxyphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 3-[5-(4-bromophenyl)-4-(3-methoxyphenyl)sulfonyl-triazol-1-yl]benzoate CAS Name: 3-[5-(4-bromophenyl)-4-(3-methoxyphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 3-[5-(4-bromophenyl)-4-(3-methoxyphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 3-[5-(4-bromophenyl)-4-(3-methoxyphenyl)sulfonyl-triazol-1-yl]benzoate Formula: C22H15BrN3O5S- MolecularWeight: 513.3406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=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(=CC=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/c1-31-18-6-3-7-19(13-18)32(29,30)21-20(14-8-10-16(23)11-9-14)26(25-24-21)17-5-2-4-15(12-17)22(27)28/h2-13H,1H3,(H,27,28)/p-1