[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-sulfamoyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)N

InChI

InChI=1S/C19H20N2O5S/c1-13-6-7-15(10-17(13)27(20,24)25)19(23)26-12-18(22)21-9-8-14-4-2-3-5-16(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H2,20,24,25)