N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl)OC

InChI

InChI=1S/C22H21ClN2O5S2/c1-29-18-12-19(30-2)17(11-16(18)23)24-22(26)21-20(8-10-31-21)32(27,28)25-9-7-14-5-3-4-6-15(14)13-25/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,24,26)