ethyl 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylisonipecotic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-22(26)18-10-12-25(13-11-18)31(27,28)20-16-24(15-17-7-4-3-5-8-17)23-21(20)19-9-6-14-30-19/h3-9,14,16,18H,2,10-13,15H2,1H3