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

Systemtic Name: ethyl [2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl] carbonate Openeye Name: ethyl [3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] carbonate CAS Name: carbonic acid ethyl [3-[(hydroxyamino)-oxomethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: ethyl [3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] carbonate Traditional Name: carbonic acid ethyl [3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C=C1

Isomeric SMILES

CCOC(=O)OC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C=C1

InChI

InChI=1S/C20H22N2O8S/c1-3-29-20(24)30-16-5-4-13-11-18(19(23)21-25)22(12-14(13)10-16)31(26,27)17-8-6-15(28-2)7-9-17/h4-10,18,25H,3,11-12H2,1-2H3,(H,21,23)