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

Systemtic Name: ethyl 1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]sulfonylisonipecotic acid ethyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-2-28-21(25)16-10-12-23(13-11-16)30(26,27)19-15-24(17-7-4-3-5-8-17)22-20(19)18-9-6-14-29-18/h3-9,14-16H,2,10-13H2,1H3