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

Systemtic Name: 2-[3,5-bis(fluoranyl)phenyl]sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propyl-aniline Openeye Name: 2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propyl-aniline CAS Name: 2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline IUPAC Name: 2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline Traditional Name: [2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-propyl-amine Formula: C21H27F2N3O2S MolecularWeight: 423.519786

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H27F2N3O2S/c1-3-7-24-20-15-18(26-9-4-8-25(2)10-11-26)5-6-21(20)29(27,28)19-13-16(22)12-17(23)14-19/h5-6,12-15,24H,3-4,7-11H2,1-2H3