4-[1-[3,4-bis(fluoranyl)phenyl]ethylamino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-[3,4-bis(fluoranyl)phenyl]ethylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(3,4-difluorophenyl)ethylamino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[1-(3,4-difluorophenyl)ethylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(3,4-difluorophenyl)ethylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(3,4-difluorophenyl)ethylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H21F2N3O4S MolecularWeight: 413.438846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=CC(=C(C=C2)F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=CC(=C(C=C2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H21F2N3O4S/c1-4-22(5-2)28(26,27)14-7-9-17(18(11-14)23(24)25)21-12(3)13-6-8-15(19)16(20)10-13/h6-12,21H,4-5H2,1-3H3