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

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

Isomeric SMILES

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

InChI

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