3-[[4-methoxy-3-(phenylmethyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[4-methoxy-3-(phenylmethyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[(3-benzyl-4-methoxy-phenyl)sulfamoyl]benzoic acid CAS Name: 3-[[4-methoxy-3-(phenylmethyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(3-benzyl-4-methoxyphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-benzyl-4-methoxy-phenyl)sulfamoyl]benzoic acid Formula: C21H19NO5S MolecularWeight: 397.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-27-20-11-10-18(13-17(20)12-15-6-3-2-4-7-15)22-28(25,26)19-9-5-8-16(14-19)21(23)24/h2-11,13-14,22H,12H2,1H3,(H,23,24)