6-fluoranyl-4-methyl-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine

Systemtic Name: 6-fluoranyl-4-methyl-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine Openeye Name: 6-fluoro-4-methyl-1-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazepine CAS Name: 6-fluoro-4-methyl-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine IUPAC Name: 6-fluoro-4-methyl-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine Traditional Name: 6-fluoro-4-methyl-1-tosyl-2,3,4,7-tetrahydroazepine Formula: C14H18FNO2S MolecularWeight: 283.361623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(=C1)F)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CCN(CC(=C1)F)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H18FNO2S/c1-11-3-5-14(6-4-11)19(17,18)16-8-7-12(2)9-13(15)10-16/h3-6,9,12H,7-8,10H2,1-2H3