methyl 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-[(2,5-dimethyl-3-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(2,5-dimethyl-3-thienyl)sulfonyl]isonipecotic acid methyl ester Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C13H19NO4S2/c1-9-8-12(10(2)19-9)20(16,17)14-6-4-11(5-7-14)13(15)18-3/h8,11H,4-7H2,1-3H3