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

Systemtic Name: 2-[[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[(3,5-dicarbomethoxy-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl)amino]ethanesulfonic acid Formula: C14H20N2O8S MolecularWeight: 376.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)NCCS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)NCCS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C14H20N2O8S/c1-7-9(13(18)23-3)11(10(8(2)16-7)14(19)24-4)12(17)15-5-6-25(20,21)22/h11,16H,5-6H2,1-4H3,(H,15,17)(H,20,21,22)