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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-ethyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-ethyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-ethylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-ethylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3,4-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(=C(C=C3)F)F

Isomeric SMILES

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

InChI

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