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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C27H28N2O5S/c1-3-29(24-11-5-4-6-12-24)35(32,33)25-17-22(14-13-20(25)2)27(31)34-19-26(30)28-16-15-21-9-7-8-10-23(21)18-28/h4-14,17H,3,15-16,18-19H2,1-2H3