methyl 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-methylol-4-(3-phenylpropyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C23H29NO5S/c1-29-22(26)20-11-5-6-12-21(20)30(27,28)24-16-14-23(18-25,15-17-24)13-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,25H,7,10,13-18H2,1H3