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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,4,5-trimethoxyphenyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-carboxamide Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H24N2O6S2/c1-29-18-12-17(13-19(30-2)21(18)31-3)24-23(26)22-20(9-11-32-22)33(27,28)25-10-8-15-6-4-5-7-16(15)14-25/h4-7,9,11-13H,8,10,14H2,1-3H3,(H,24,26)