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

Systemtic Name: ethyl 1-(1-propan-2-yl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[(1-propan-2-yl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-propan-2-yl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonylnipecotic acid ethyl ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)C(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)C(C)C

InChI

InChI=1S/C18H25N3O4S2/c1-4-25-18(22)14-7-5-9-20(11-14)27(23,24)16-12-21(13(2)3)19-17(16)15-8-6-10-26-15/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3