4-phenylbutyl (2S)-1-[3-(dimethoxymethyl)pyrazol-1-yl]sulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-[3-(dimethoxymethyl)pyrazol-1-yl]sulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[3-(dimethoxymethyl)pyrazol-1-yl]sulfonylpiperidine-2-carboxylate CAS Name: (2S)-1-[[3-(dimethoxymethyl)-1-pyrazolyl]sulfonyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[3-(dimethoxymethyl)pyrazol-1-yl]sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-[3-(dimethoxymethyl)pyrazol-1-yl]sulfonylpipecolinic acid 4-phenylbutyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NN(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3)OC

Isomeric SMILES

COC(C1=NN(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H31N3O6S/c1-29-22(30-2)19-14-16-25(23-19)32(27,28)24-15-8-6-13-20(24)21(26)31-17-9-7-12-18-10-4-3-5-11-18/h3-5,10-11,14,16,20,22H,6-9,12-13,15,17H2,1-2H3/t20-/m0/s1