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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C22H20ClN3O4S/c1-14-20(22(27)28)7-9-24-21(14)26-10-8-15-5-6-19(11-16(15)13-26)31(29,30)25-18-4-2-3-17(23)12-18/h2-7,9,11-12,25H,8,10,13H2,1H3,(H,27,28)