1-[3-methoxy-4-[(E)-2-methylsulfanyl-2-methylsulfinyl-ethenyl]phenyl]-4-(phenylmethyl)piperidin-4-ol

Systemtic Name: 1-[3-methoxy-4-[(E)-2-methylsulfanyl-2-methylsulfinyl-ethenyl]phenyl]-4-(phenylmethyl)piperidin-4-ol Openeye Name: 4-benzyl-1-[3-methoxy-4-[(E)-2-methylsulfanyl-2-methylsulfinyl-vinyl]phenyl]piperidin-4-ol CAS Name: 1-[3-methoxy-4-[(E)-2-methylsulfinyl-2-(methylthio)ethenyl]phenyl]-4-(phenylmethyl)-4-piperidinol IUPAC Name: 4-benzyl-1-[3-methoxy-4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]phenyl]piperidin-4-ol Traditional Name: 4-benzyl-1-[3-methoxy-4-[(E)-2-methylsulfinyl-2-(methylthio)vinyl]phenyl]piperidin-4-ol Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCC(CC2)(CC3=CC=CC=C3)O)C=C(SC)S(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCC(CC2)(CC3=CC=CC=C3)O)/C=C(\SC)/S(=O)C

InChI

InChI=1S/C23H29NO3S2/c1-27-21-16-20(10-9-19(21)15-22(28-2)29(3)26)24-13-11-23(25,12-14-24)17-18-7-5-4-6-8-18/h4-10,15-16,25H,11-14,17H2,1-3H3/b22-15+