N-[3-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[3-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[3-[[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[3-[[4-(hydroxymethyl)-4-phenethyl-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[3-[4-(hydroxymethyl)-4-phenethylpiperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[3-(4-methylol-4-phenethyl-piperidino)sulfonylphenyl]acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H28N2O4S/c1-18(26)23-20-8-5-9-21(16-20)29(27,28)24-14-12-22(17-25,13-15-24)11-10-19-6-3-2-4-7-19/h2-9,16,25H,10-15,17H2,1H3,(H,23,26)