dimethyl 5-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O7S/c1-22-19(24)18-11-13-6-4-5-7-14(13)12-23(18)31(27,28)17-9-15(20(25)29-2)8-16(10-17)21(26)30-3/h4-10,18H,11-12H2,1-3H3,(H,22,24)/t18-/m1/s1