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

Systemtic Name: 2-[[2,6-dimethyl-3,5-bis(propoxycarbonyl)-1,4-dihydropyridin-4-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[2,6-dimethyl-3,5-bis(propoxycarbonyl)-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[2,6-dimethyl-3,5-bis[oxo(propoxy)methyl]-1,4-dihydropyridin-4-yl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2,6-dimethyl-3,5-bis(propoxycarbonyl)-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[[2,6-dimethyl-3,5-bis(propoxycarbonyl)-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid Formula: C18H28N2O8S MolecularWeight: 432.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1C(=O)NCCS(=O)(=O)O)C(=O)OCCC)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1C(=O)NCCS(=O)(=O)O)C(=O)OCCC)C)C

InChI

InChI=1S/C18H28N2O8S/c1-5-8-27-17(22)13-11(3)20-12(4)14(18(23)28-9-6-2)15(13)16(21)19-7-10-29(24,25)26/h15,20H,5-10H2,1-4H3,(H,19,21)(H,24,25,26)