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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 3-[(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] 3-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H21IN2O5S MolecularWeight: 576.40341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21IN2O5S/c25-20-8-10-21(11-9-20)26-33(30,31)22-7-3-6-18(14-22)24(29)32-16-23(28)27-13-12-17-4-1-2-5-19(17)15-27/h1-11,14,26H,12-13,15-16H2