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

Systemtic Name: 6-fluoranyl-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine Openeye Name: 6-fluoro-1-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazepine CAS Name: 6-fluoro-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine IUPAC Name: 6-fluoro-1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine Traditional Name: 6-fluoro-1-tosyl-2,3,4,7-tetrahydroazepine Formula: C13H16FNO2S MolecularWeight: 269.335043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=C(C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=C(C2)F

InChI

InChI=1S/C13H16FNO2S/c1-11-5-7-13(8-6-11)18(16,17)15-9-3-2-4-12(14)10-15/h4-8H,2-3,9-10H2,1H3