ethyl 1-(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-methyl-3-(2-thienyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-methyl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[1-methyl-3-(2-thienyl)pyrazol-4-yl]sulfonylisonipecotic acid ethyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)C

InChI

InChI=1S/C16H21N3O4S2/c1-3-23-16(20)12-6-8-19(9-7-12)25(21,22)14-11-18(2)17-15(14)13-5-4-10-24-13/h4-5,10-12H,3,6-9H2,1-2H3