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

Systemtic Name: 4-[4-(3-methoxyphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[4-(3-methoxyphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxyphenyl)sulfonyl-5-phenyl-1-triazolyl]benzoate IUPAC Name: 4-[4-(3-methoxyphenyl)sulfonyl-5-phenyltriazol-1-yl]benzoate Traditional Name: 4-[4-(3-methoxyphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoate Formula: C22H16N3O5S- MolecularWeight: 434.44454

Click to see the large picture

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=CC=C4

Isomeric SMILES

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

InChI

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