5-(2-oxidanylidene-2-piperazin-1-yl-ethoxy)carbonyl-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-oxidanylidene-2-piperazin-1-yl-ethoxy)carbonyl-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(benzenesulfinylmethyl)-5-(2-oxo-2-piperazin-1-yl-ethoxy)carbonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(benzenesulfinylmethyl)-5-[oxo-[2-oxo-2-(1-piperazinyl)ethoxy]methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(benzenesulfinylmethyl)-5-(2-oxo-2-piperazin-1-ylethoxy)carbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(benzenesulfinylmethyl)-5-(2-keto-2-piperazino-ethoxy)carbonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)COC(=O)C2=CNC(=C(C2)C(=O)O)CS(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C(=O)COC(=O)C2=CNC(=C(C2)C(=O)O)CS(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O6S/c24-18(23-8-6-21-7-9-23)12-29-20(27)14-10-16(19(25)26)17(22-11-14)13-30(28)15-4-2-1-3-5-15/h1-5,11,21-22H,6-10,12-13H2,(H,25,26)