1-[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)sulfonyl]isonipecotic acid Formula: C15H19NO8S2 MolecularWeight: 405.44326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)OC

InChI

InChI=1S/C15H19NO8S2/c1-8-10(13(19)23-2)15(25-11(8)14(20)24-3)26(21,22)16-6-4-9(5-7-16)12(17)18/h9H,4-7H2,1-3H3,(H,17,18)