methyl 3-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(1,3-dioxoisoindolin-2-yl)methyl]-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[(1,3-dioxo-2-isoindolyl)methyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(phthalimidomethyl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N2O6S2/c1-28-20(25)17-16(8-11-29-17)30(26,27)21-9-6-13(7-10-21)12-22-18(23)14-4-2-3-5-15(14)19(22)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3