methyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S2/c1-29-22(26)15-8-10-18(11-9-15)23-21(25)19-13-16-5-2-3-6-17(16)14-24(19)31(27,28)20-7-4-12-30-20/h2-12,19H,13-14H2,1H3,(H,23,25)