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

Systemtic Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-butanoic acid CAS Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-butyric acid Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(CCN1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C21H25ClN2O4S/c1-21(2,20(25)26)9-11-24-10-8-15-6-7-19(12-16(15)14-24)29(27,28)23-18-5-3-4-17(22)13-18/h3-7,12-13,23H,8-11,14H2,1-2H3,(H,25,26)