ethyl 5-cyano-6-methyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(phenylsulfonylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(phenylsulfonylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-5-cyano-6-methyl-4-(1-oxidopyridin-1-ium-2-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-5-cyano-6-methyl-4-(1-oxido-2-pyridin-1-iumyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-5-cyano-6-methyl-4-(1-oxidopyridin-1-ium-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(besylmethyl)-5-cyano-6-methyl-4-(1-oxidopyridin-1-ium-2-yl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2[O-])C#N)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2[O-])C#N)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-3-30-22(26)21-18(14-31(28,29)16-9-5-4-6-10-16)24-15(2)17(13-23)20(21)19-11-7-8-12-25(19)27/h4-12,20,24H,3,14H2,1-2H3