2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[(3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl)amino]ethanesulfonic acid Formula: C16H24N2O8S MolecularWeight: 404.43536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C(=O)NCCS(=O)(=O)O)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C(=O)NCCS(=O)(=O)O)C(=O)OCC)C)C

InChI

InChI=1S/C16H24N2O8S/c1-5-25-15(20)11-9(3)18-10(4)12(16(21)26-6-2)13(11)14(19)17-7-8-27(22,23)24/h13,18H,5-8H2,1-4H3,(H,17,19)(H,22,23,24)