dimethyl 2-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C28H28N2O8S MolecularWeight: 552.59552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H28N2O8S/c1-4-38-21-10-12-22(13-11-21)39(34,35)30-17-20-8-6-5-7-18(20)16-25(30)26(31)29-24-15-19(27(32)36-2)9-14-23(24)28(33)37-3/h5-15,25H,4,16-17H2,1-3H3,(H,29,31)