1-(6-phenethylsulfanylpyridin-3-yl)sulfonylazepane

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O2S2/c22-25(23,21-13-6-1-2-7-14-21)18-10-11-19(20-16-18)24-15-12-17-8-4-3-5-9-17/h3-5,8-11,16H,1-2,6-7,12-15H2