2-fluoranyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile Traditional Name: 2-fluoro-6-(4-tosyl-1,4-diazepan-1-yl)benzonitrile Formula: C19H20FN3O2S MolecularWeight: 373.444403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C19H20FN3O2S/c1-15-6-8-16(9-7-15)26(24,25)23-11-3-10-22(12-13-23)19-5-2-4-18(20)17(19)14-21/h2,4-9H,3,10-13H2,1H3