1-(4-methylphenyl)sulfonyl-3-phenylsulfanyl-azepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-phenylsulfanyl-azepane Openeye Name: 3-phenylsulfanyl-1-(p-tolylsulfonyl)azepane CAS Name: 1-(4-methylphenyl)sulfonyl-3-(phenylthio)azepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-phenylsulfanylazepane Traditional Name: 3-(phenylthio)-1-tosyl-azepane Formula: C19H23NO2S2 MolecularWeight: 361.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2)SC3=CC=CC=C3

InChI

InChI=1S/C19H23NO2S2/c1-16-10-12-19(13-11-16)24(21,22)20-14-6-5-9-18(15-20)23-17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14-15H2,1H3