[2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl] 4-methoxybenzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl] 4-methoxybenzenesulfonate Openeye Name: [3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[(hydroxyamino)-oxomethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C24H24N2O9S2 MolecularWeight: 548.58536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H24N2O9S2/c1-33-18-5-9-21(10-6-18)36(29,30)26-15-17-13-20(4-3-16(17)14-23(26)24(27)25-28)35-37(31,32)22-11-7-19(34-2)8-12-22/h3-13,23,28H,14-15H2,1-2H3,(H,25,27)