N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(2,6-dimethoxy-3-pyridyl)-N-methylsulfonyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(2,6-dimethoxy-3-pyridyl)-N-mesyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C21H20N2O5S2/c1-27-18-11-10-16(20(22-18)28-2)23(30(3,25)26)21(24)17-12-14-9-8-13-6-4-5-7-15(13)19(14)29-17/h4-7,10-12H,8-9H2,1-3H3