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

Systemtic Name: 1-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonylazepane Openeye Name: 1-[(6-benzylsulfanyl-3-pyridyl)sulfonyl]azepane CAS Name: 1-[[6-(phenylmethylthio)-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-(6-benzylsulfanylpyridin-3-yl)sulfonylazepane Traditional Name: 1-[[6-(benzylthio)-3-pyridyl]sulfonyl]azepane Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S2/c21-24(22,20-12-6-1-2-7-13-20)17-10-11-18(19-14-17)23-15-16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2