3-methoxy-4-[[6-[(phenylmethyl)sulfonylamino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[(phenylmethyl)sulfonylamino]indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylsulfonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[(phenylmethyl)sulfonylamino]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylsulfonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(benzylsulfonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O5S/c1-31-23-13-19(24(27)28)7-8-20(23)15-26-12-11-18-9-10-21(14-22(18)26)25-32(29,30)16-17-5-3-2-4-6-17/h2-14,25H,15-16H2,1H3,(H,27,28)