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

Systemtic Name: methyl 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-28-21(25)17-9-11-24(12-10-17)30(26,27)19-15-23(14-16-6-3-2-4-7-16)22-20(19)18-8-5-13-29-18/h2-8,13,15,17H,9-12,14H2,1H3