2-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-methyl-aniline

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-methyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-methyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-methylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-methylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-phenyl]-methyl-amine Formula: C18H21F2N3O2S MolecularWeight: 381.440046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H21F2N3O2S/c1-21-17-11-13(23-9-2-7-22-8-10-23)3-6-18(17)26(24,25)14-4-5-15(19)16(20)12-14/h3-6,11-12,21-22H,2,7-10H2,1H3