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

Systemtic Name: 2-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-[4-(3-methoxy-1-pyrazolyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3-methoxypyrazol-1-yl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: 2-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-14-13-16(5-6-17(14)23-12-9-18(21-23)28-4)15-7-10-22(11-8-15)29(26,27)20(2,3)19(24)25/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H,24,25)