1-[6-[(4-methylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-[(4-methylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-(p-tolylmethylsulfanyl)-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-[(4-methylphenyl)methylthio]-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-[(4-methylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-[(4-methylbenzyl)thio]-3-pyridyl]sulfonyl]azepane Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O2S2/c1-16-6-8-17(9-7-16)15-24-19-11-10-18(14-20-19)25(22,23)21-12-4-2-3-5-13-21/h6-11,14H,2-5,12-13,15H2,1H3