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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)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] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O5S/c26-22-11-10-20(14-23(22)34(31,32)27-15-18-6-2-1-3-7-18)25(30)33-17-24(29)28-13-12-19-8-4-5-9-21(19)16-28/h1-11,14,27H,12-13,15-17H2