2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Formula: C25H22ClFN4O2S MolecularWeight: 496.984183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C25H22ClFN4O2S/c26-20-17-19(11-12-21(20)27)34(32,33)31-14-6-13-30(15-16-31)25-24(18-7-2-1-3-8-18)28-22-9-4-5-10-23(22)29-25/h1-5,7-12,17H,6,13-16H2