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

Systemtic Name: methyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-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)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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