(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O4S2/c1-15-18(20(22)25(23-15)17-6-3-2-4-7-17)14-29-21(26)16-9-11-24(12-10-16)31(27,28)19-8-5-13-30-19/h2-8,13,16H,9-12,14H2,1H3