dimethyl 5-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H22N2O7S2 MolecularWeight: 514.57068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C24H22N2O7S2/c1-32-23(28)17-10-18(24(29)33-2)12-19(11-17)25-22(27)20-13-15-6-3-4-7-16(15)14-26(20)35(30,31)21-8-5-9-34-21/h3-12,20H,13-14H2,1-2H3,(H,25,27)