2-[(4-methylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 5-(1-piperidylsulfonyl)-2-(p-tolylmethylsulfanyl)pyridine CAS Name: 2-[(4-methylphenyl)methylthio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[(4-methylbenzyl)thio]-5-piperidinosulfonyl-pyridine Formula: C18H22N2O2S2 MolecularWeight: 362.50948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N2O2S2/c1-15-5-7-16(8-6-15)14-23-18-10-9-17(13-19-18)24(21,22)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3