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

Systemtic Name: 2-[4-[4-[3-(2-hydroxyethyloxy)pyrazol-1-yl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-[3-(2-hydroxyethoxy)pyrazol-1-yl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-[4-[3-(2-hydroxyethoxy)-1-pyrazolyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[3-(2-hydroxyethoxy)pyrazol-1-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: 2-[4-[4-[3-(2-hydroxyethoxy)pyrazol-1-yl]-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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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)O)N3C=CC(=N3)OCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c1-15-14-17(4-5-18(15)24-11-8-19(22-24)30-13-12-25)16-6-9-23(10-7-16)31(28,29)21(2,3)20(26)27/h4-5,8,11,14,16,25H,6-7,9-10,12-13H2,1-3H3,(H,26,27)