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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H20N2O5S2/c1-23-21(25)16-6-8-18(9-7-16)29-22(26)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)