2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate trihydrochloride

Systemtic Name: 2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate trihydrochloride Openeye Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate trihydrochloride CAS Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate trihydrochloride IUPAC Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate trihydrochloride Traditional Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate trihydrochloride Formula: C14H14Cl3NO5S-2 MolecularWeight: 414.68866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC(=C1C(=O)[O-])CS(=O)C2=CC=CC=C2)C(=O)[O-].Cl.Cl.Cl

Isomeric SMILES

C1C(=CNC(=C1C(=O)[O-])CS(=O)C2=CC=CC=C2)C(=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C14H13NO5S.3ClH/c16-13(17)9-6-11(14(18)19)12(15-7-9)8-21(20)10-4-2-1-3-5-10;;;/h1-5,7,15H,6,8H2,(H,16,17)(H,18,19);3*1H/p-2