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

Systemtic Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyridine-4-carboxylic acid Openeye Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyridine-4-carboxylic acid CAS Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyridine-4-carboxylic acid Traditional Name: 2-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]isonicotinic acid Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4S/c23-18-2-1-3-19(12-18)25-31(29,30)21-5-4-15-7-9-26(13-17(15)11-21)14-20-10-16(22(27)28)6-8-24-20/h1-6,8,10-12,25H,7,9,13-14H2,(H,27,28)