dimethyl 5-azanyl-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-besylisonipecotoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C21H24N2O8S2/c1-29-20(25)16-15(17(21(26)30-2)32-18(16)22)12-31-19(24)13-8-10-23(11-9-13)33(27,28)14-6-4-3-5-7-14/h3-7,13H,8-12,22H2,1-2H3