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

Systemtic Name: methyl 1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-27-20(24)15-9-11-22(12-10-15)29(25,26)18-14-23(16-6-3-2-4-7-16)21-19(18)17-8-5-13-28-17/h2-8,13-15H,9-12H2,1H3