3-[bis(phenylmethyl)sulfamoyl]-4-[(4-chlorophenyl)methylsulfinyl]benzoic acid

Systemtic Name: 3-[bis(phenylmethyl)sulfamoyl]-4-[(4-chlorophenyl)methylsulfinyl]benzoic acid Openeye Name: 4-[(4-chlorophenyl)methylsulfinyl]-3-(dibenzylsulfamoyl)benzoic acid CAS Name: 3-[bis(phenylmethyl)sulfamoyl]-4-[(4-chlorophenyl)methylsulfinyl]benzoic acid IUPAC Name: 4-[(4-chlorophenyl)methylsulfinyl]-3-(dibenzylsulfamoyl)benzoic acid Traditional Name: 4-(4-chlorobenzyl)sulfinyl-3-(dibenzylsulfamoyl)benzoic acid Formula: C28H24ClNO5S2 MolecularWeight: 554.07686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)S(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)S(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H24ClNO5S2/c29-25-14-11-23(12-15-25)20-36(33)26-16-13-24(28(31)32)17-27(26)37(34,35)30(18-21-7-3-1-4-8-21)19-22-9-5-2-6-10-22/h1-17H,18-20H2,(H,31,32)