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

Systemtic Name: N-[2-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)phenyl]-N-ethyl-ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-phenyl]-N-ethyl-acetamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonylphenyl]-N-ethylacetamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonylphenyl]-N-ethylacetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-phenyl]-N-ethyl-acetamide Formula: C21H25F2N3O3S MolecularWeight: 437.503306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2N3O3S/c1-3-26(15(2)27)20-13-16(25-11-4-9-24-10-12-25)5-8-21(20)30(28,29)17-6-7-18(22)19(23)14-17/h5-8,13-14,24H,3-4,9-12H2,1-2H3