methyl 3-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[3-(4-phenyl-1H-pyrazol-5-yl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C3=C(C=NN3)C4=CC=CC=C4

InChI

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