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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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