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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxyphenyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S2/c1-27-18-8-6-17(7-9-18)22-21(24)20-19(11-13-28-20)29(25,26)23-12-10-15-4-2-3-5-16(15)14-23/h2-9,11,13H,10,12,14H2,1H3,(H,22,24)