[8-ethyl-6-methyl-3-[[4-methyl-3-(4-methylphenyl)sulfonyloxy-pyridin-2-yl]carbonylamino]-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate

Systemtic Name: [8-ethyl-6-methyl-3-[[4-methyl-3-(4-methylphenyl)sulfonyloxy-pyridin-2-yl]carbonylamino]-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate Openeye Name: [8-ethyl-6-methyl-3-[[4-methyl-3-(p-tolylsulfonyloxy)pyridine-2-carbonyl]amino]-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [8-ethyl-6-methyl-3-[[[4-methyl-3-(4-methylphenyl)sulfonyloxy-2-pyridinyl]-oxomethyl]amino]-4,9-dioxo-1,5-dioxonan-7-yl] ester IUPAC Name: [8-ethyl-6-methyl-3-[[4-methyl-3-(4-methylphenyl)sulfonyloxypyridine-2-carbonyl]amino]-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [8-ethyl-4,9-diketo-6-methyl-3-[(4-methyl-3-tosyloxy-picolinoyl)amino]-1,5-dioxonan-7-yl] ester Formula: C28H34N2O10S MolecularWeight: 590.64196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)C)C)C)OC(=O)C(C)C

Isomeric SMILES

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)C)C)C)OC(=O)C(C)C

InChI

InChI=1S/C28H34N2O10S/c1-7-20-24(39-26(32)15(2)3)18(6)38-28(34)21(14-37-27(20)33)30-25(31)22-23(17(5)12-13-29-22)40-41(35,36)19-10-8-16(4)9-11-19/h8-13,15,18,20-21,24H,7,14H2,1-6H3,(H,30,31)