methyl 2-(azocan-1-ylsulfonyl)-6-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-(azocan-1-ylsulfonyl)-6-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azocan-1-ylsulfonyl)-6-(1-oxidopyridin-1-ium-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azocanylsulfonyl)-6-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylsulfonyl)-6-(1-oxidopyridin-1-ium-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azocan-1-ylsulfonyl)-6-(1-oxidopyridin-1-ium-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=C[N+](=CC=C3)[O-])S(=O)(=O)N4CCCCCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=C[N+](=CC=C3)[O-])S(=O)(=O)N4CCCCCCC4

InChI

InChI=1S/C22H27N3O6S2/c1-31-21(27)19-17-9-13-23(20(26)16-8-7-10-24(28)14-16)15-18(17)32-22(19)33(29,30)25-11-5-3-2-4-6-12-25/h7-8,10,14H,2-6,9,11-13,15H2,1H3