methyl 2-[4-[4-[3-(2-hydroxyethyloxy)pyrazol-1-yl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate

Systemtic Name: methyl 2-[4-[4-[3-(2-hydroxyethyloxy)pyrazol-1-yl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-[4-[3-(2-hydroxyethoxy)pyrazol-1-yl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-[4-[3-(2-hydroxyethoxy)-1-pyrazolyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[4-[3-(2-hydroxyethoxy)pyrazol-1-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-[4-[3-(2-hydroxyethoxy)pyrazol-1-yl]-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)OC)N3C=CC(=N3)OCCO

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)OC)N3C=CC(=N3)OCCO

InChI

InChI=1S/C22H31N3O6S/c1-16-15-18(5-6-19(16)25-12-9-20(23-25)31-14-13-26)17-7-10-24(11-8-17)32(28,29)22(2,3)21(27)30-4/h5-6,9,12,15,17,26H,7-8,10-11,13-14H2,1-4H3