methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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