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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

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