1-[6-(1-phenylethylsulfanyl)pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-(1-phenylethylsulfanyl)pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-(1-phenylethylsulfanyl)-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-(1-phenylethylthio)-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-(1-phenylethylsulfanyl)pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-(1-phenylethylthio)-3-pyridyl]sulfonyl]azepane Formula: C19H24N2O2S2 MolecularWeight: 376.53606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O2S2/c1-16(17-9-5-4-6-10-17)24-19-12-11-18(15-20-19)25(22,23)21-13-7-2-3-8-14-21/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3