3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C22H22N2O5S2/c1-28-17-7-8-18(19(13-17)29-2)23-22(25)21-20(10-12-30-21)31(26,27)24-11-9-15-5-3-4-6-16(15)14-24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,25)