[4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl 2-methylpropanoate

Systemtic Name: [4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl 2-methylpropanoate Openeye Name: [4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[4-(3-hydroxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl ester IUPAC Name: [4-[4-(3-hydroxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]piperidino]sulfonyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)OC(=O)C(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)OC(=O)C(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H27NO5S/c1-15(2)22(25)28-29(26,27)23-11-9-17(10-12-23)18-7-8-21(16(3)13-18)19-5-4-6-20(24)14-19/h4-8,13-15,17,24H,9-12H2,1-3H3