N,N-diethyl-4-[2-(3-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(3-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(3-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(3-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(3-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(3-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O4S/c1-3-21(4-2)27(25,26)16-8-9-17(18(13-16)22(23)24)20-11-10-14-6-5-7-15(19)12-14/h5-9,12-13,20H,3-4,10-11H2,1-2H3