N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-ethyl-ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-ethyl-ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-ethyl-acetamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]-N-ethylacetamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]-N-ethylacetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-ethyl-acetamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-3-25(16(2)26)20-15-18(24-12-5-10-23-11-13-24)8-9-21(20)29(27,28)19-7-4-6-17(22)14-19/h4,6-9,14-15,23H,3,5,10-13H2,1-2H3