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

Systemtic Name: methyl 2-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-[4-(3-methoxy-1-pyrazolyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-methoxypyrazol-1-yl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-15-14-17(6-7-18(15)24-13-10-19(22-24)28-4)16-8-11-23(12-9-16)30(26,27)21(2,3)20(25)29-5/h6-7,10,13-14,16H,8-9,11-12H2,1-5H3