1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[(2-carbomethoxy-3-thienyl)sulfonyl]nipecotic acid Formula: C12H15NO6S2 MolecularWeight: 333.3806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C12H15NO6S2/c1-19-12(16)10-9(4-6-20-10)21(17,18)13-5-2-3-8(7-13)11(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)