4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]sulfanylphenol

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]sulfanylphenol Openeye Name: 4-[[1-(p-tolylsulfonyl)-3-piperidyl]sulfanyl]phenol CAS Name: 4-[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]thio]phenol IUPAC Name: 4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]sulfanylphenol Traditional Name: 4-[(1-tosyl-3-piperidyl)thio]phenol Formula: C18H21NO3S2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)SC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)SC3=CC=C(C=C3)O

InChI

InChI=1S/C18H21NO3S2/c1-14-4-10-18(11-5-14)24(21,22)19-12-2-3-17(13-19)23-16-8-6-15(20)7-9-16/h4-11,17,20H,2-3,12-13H2,1H3