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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(4-iodophenyl)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-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H20ClIN2O5S MolecularWeight: 610.84847

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)I)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)I)Cl

InChI

InChI=1S/C24H20ClIN2O5S/c25-22-10-9-20(34(31,32)27-19-7-5-18(26)6-8-19)13-21(22)24(30)33-15-23(29)28-12-11-16-3-1-2-4-17(16)14-28/h1-10,13,27H,11-12,14-15H2