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

Systemtic Name: 3-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 3-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid CAS Name: 3-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid IUPAC Name: 3-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid Traditional Name: 3-[[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(=C4)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC(=C4)C(=O)O

InChI

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