1-(4-methylsulfinylphenyl)-2-[1-(phenylmethyl)piperidin-4-yl]ethanone hydrate

Systemtic Name: 1-(4-methylsulfinylphenyl)-2-[1-(phenylmethyl)piperidin-4-yl]ethanone hydrate Openeye Name: 2-(1-benzyl-4-piperidyl)-1-(4-methylsulfinylphenyl)ethanone hydrate CAS Name: 1-(4-methylsulfinylphenyl)-2-[1-(phenylmethyl)-4-piperidinyl]ethanone hydrate IUPAC Name: 2-(1-benzylpiperidin-4-yl)-1-(4-methylsulfinylphenyl)ethanone hydrate Traditional Name: 2-(1-benzyl-4-piperidyl)-1-(4-methylsulfinylphenyl)ethanone hydrate Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)C(=O)CC2CCN(CC2)CC3=CC=CC=C3.O

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)C(=O)CC2CCN(CC2)CC3=CC=CC=C3.O

InChI

InChI=1S/C21H25NO2S.H2O/c1-25(24)20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18;/h2-10,17H,11-16H2,1H3;1H2