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

Systemtic Name: 4-[5-(4-chlorophenyl)-4-(3-methoxyphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[5-(4-chlorophenyl)-4-(3-methoxyphenyl)sulfonyl-triazol-1-yl]benzoate CAS Name: 4-[5-(4-chlorophenyl)-4-(3-methoxyphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 4-[5-(4-chlorophenyl)-4-(3-methoxyphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 4-[5-(4-chlorophenyl)-4-(3-methoxyphenyl)sulfonyl-triazol-1-yl]benzoate Formula: C22H15ClN3O5S- MolecularWeight: 468.8896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O5S/c1-31-18-3-2-4-19(13-18)32(29,30)21-20(14-5-9-16(23)10-6-14)26(25-24-21)17-11-7-15(8-12-17)22(27)28/h2-13H,1H3,(H,27,28)/p-1