ethyl 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(5-methyl-1H-pyrazol-3-yl)-2-thienyl]sulfonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(5-methyl-1H-pyrazol-3-yl)-2-thiophenyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[[5-(5-methyl-1H-pyrazol-3-yl)-2-thienyl]sulfonyl]isonipecotic 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=CC=C(S2)C3=NNC(=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=C3)C

InChI

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