2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid

Systemtic Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid CAS Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid IUPAC Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid Traditional Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H21ClN2O4S/c24-19-5-3-6-20(13-19)25-31(29,30)21-9-8-16-10-11-26(15-18(16)12-21)14-17-4-1-2-7-22(17)23(27)28/h1-9,12-13,25H,10-11,14-15H2,(H,27,28)