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

Systemtic Name: 2-[3,5-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-ethyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-N-ethyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-N-ethylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-N-ethylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonyl-phenyl]-ethyl-amine Formula: C19H23F2N3O2S MolecularWeight: 395.466626

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C19H23F2N3O2S/c1-2-23-18-13-16(24-8-3-6-22-7-9-24)4-5-19(18)27(25,26)17-11-14(20)10-15(21)12-17/h4-5,10-13,22-23H,2-3,6-9H2,1H3