[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2,4-dichloro-5-sulfamoyl-benzoate CAS Name: 2,4-dichloro-5-sulfamoylbenzoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2,4-dichloro-5-sulfamoylbenzoate Traditional Name: 2,4-dichloro-5-sulfamoyl-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H18Cl2N2O5S MolecularWeight: 457.32762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N

InChI

InChI=1S/C19H18Cl2N2O5S/c1-11(18(24)23-7-6-12-4-2-3-5-13(12)10-23)28-19(25)14-8-17(29(22,26)27)16(21)9-15(14)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,22,26,27)