4-[(2-cyanophenyl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[(2-cyanophenyl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid Openeye Name: 4-[(2-cyanophenyl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid CAS Name: 4-[(2-cyanophenyl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(2-cyanophenyl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 4-[(2-cyanobenzyl)-p-anisyl-sulfamoyl]benzoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20N2O5S/c1-30-21-10-6-17(7-11-21)15-25(16-20-5-3-2-4-19(20)14-24)31(28,29)22-12-8-18(9-13-22)23(26)27/h2-13H,15-16H2,1H3,(H,26,27)