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

Systemtic Name: methyl 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-butanoate Openeye Name: methyl 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-butanoate CAS Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylbutanoic acid methyl ester IUPAC Name: methyl 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylbutanoate Traditional Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-butyric acid methyl ester Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-22(2,21(26)29-3)10-12-25-11-9-16-7-8-20(13-17(16)15-25)30(27,28)24-19-6-4-5-18(23)14-19/h4-8,13-14,24H,9-12,15H2,1-3H3