[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]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-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]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=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

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