O1-methyl O4-[1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl] (Z)-2-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]but-2-enedioate

Systemtic Name: O1-methyl O4-[1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl] (Z)-2-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]but-2-enedioate Openeye Name: O4-[1-[2-(methanesulfonamido)ethyl]-4-piperidyl] O1-methyl (Z)-2-(3-benzyl-1,2,4-oxadiazol-5-yl)but-2-enedioate CAS Name: (Z)-2-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-2-butenedioic acid O4-[1-[2-(methanesulfonamido)ethyl]-4-piperidinyl] ester O1-methyl ester IUPAC Name: 4-O-[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl] 1-O-methyl (Z)-2-(3-benzyl-1,2,4-oxadiazol-5-yl)but-2-enedioate Traditional Name: (Z)-2-(3-benzyl-1,2,4-oxadiazol-5-yl)but-2-enedioic acid O4-[1-[2-(methanesulfonamido)ethyl]-4-piperidyl] ester O1-methyl ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)OC1CCN(CC1)CCNS(=O)(=O)C)C2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C(=C\C(=O)OC1CCN(CC1)CCNS(=O)(=O)C)/C2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O7S/c1-31-22(28)18(21-24-19(25-33-21)14-16-6-4-3-5-7-16)15-20(27)32-17-8-11-26(12-9-17)13-10-23-34(2,29)30/h3-7,15,17,23H,8-14H2,1-2H3/b18-15-