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

Systemtic Name: 2-[3,5-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-propyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-N-propyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-N-propylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-N-propylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-phenyl]-propyl-amine Formula: C20H25F2N3O2S MolecularWeight: 409.493206

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C20H25F2N3O2S/c1-2-6-24-19-14-17(25-9-3-7-23-8-10-25)4-5-20(19)28(26,27)18-12-15(21)11-16(22)13-18/h4-5,11-14,23-24H,2-3,6-10H2,1H3