1-[6-(naphthalen-1-ylmethylsulfanyl)pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-(naphthalen-1-ylmethylsulfanyl)pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-(1-naphthylmethylsulfanyl)-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-(1-naphthalenylmethylthio)-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-(naphthalen-1-ylmethylsulfanyl)pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-(1-naphthylmethylthio)-3-pyridyl]sulfonyl]azepane Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H24N2O2S2/c25-28(26,24-14-5-1-2-6-15-24)20-12-13-22(23-16-20)27-17-19-10-7-9-18-8-3-4-11-21(18)19/h3-4,7-13,16H,1-2,5-6,14-15,17H2