[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-methyl-5-(m-tolylsulfamoyl)benzoate CAS Name: 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 2-methyl-5-(m-tolylsulfamoyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H26N2O5S/c1-18-6-5-9-22(14-18)27-34(31,32)23-11-10-19(2)24(15-23)26(30)33-17-25(29)28-13-12-20-7-3-4-8-21(20)16-28/h3-11,14-15,27H,12-13,16-17H2,1-2H3