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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-fluorophenyl)sulfamoyl]-2-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] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H23FN2O5S MolecularWeight: 482.523923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H23FN2O5S/c1-17-6-11-22(34(31,32)27-21-9-7-20(26)8-10-21)14-23(17)25(30)33-16-24(29)28-13-12-18-4-2-3-5-19(18)15-28/h2-11,14,27H,12-13,15-16H2,1H3