5-(1,4-diazepan-1-yl)-N,N-diethyl-2-(3-fluorophenyl)sulfonyl-aniline

Systemtic Name: 5-(1,4-diazepan-1-yl)-N,N-diethyl-2-(3-fluorophenyl)sulfonyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-N,N-diethyl-2-(3-fluorophenyl)sulfonyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-N,N-diethyl-2-(3-fluorophenyl)sulfonylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-N,N-diethyl-2-(3-fluorophenyl)sulfonylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-diethyl-amine Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O2S/c1-3-24(4-2)20-16-18(25-13-6-11-23-12-14-25)9-10-21(20)28(26,27)19-8-5-7-17(22)15-19/h5,7-10,15-16,23H,3-4,6,11-14H2,1-2H3