N,N-diethyl-4-[1-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[1-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[1-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[1-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[1-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[1-(4-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)NC(C)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O4S/c1-4-21(5-2)27(25,26)16-10-11-17(18(12-16)22(23)24)20-13(3)14-6-8-15(19)9-7-14/h6-13,20H,4-5H2,1-3H3