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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)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-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(p-phenetylsulfonylamino)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H26N2O6S/c1-2-33-21-11-13-22(14-12-21)35(31,32)27-24-10-6-5-9-23(24)26(30)34-18-25(29)28-16-15-19-7-3-4-8-20(19)17-28/h3-14,27H,2,15-18H2,1H3