methyl 3-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-(3-piperonyloylpiperidino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C19H19NO7S2 MolecularWeight: 437.48666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19NO7S2/c1-25-19(22)18-16(6-8-28-18)29(23,24)20-7-2-3-13(10-20)17(21)12-4-5-14-15(9-12)27-11-26-14/h4-6,8-9,13H,2-3,7,10-11H2,1H3