N,N-diethyl-4-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[1-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethylamino]-3-nitro-benzenesulfonamide Formula: C22H26FN5O4S MolecularWeight: 475.536343

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26FN5O4S/c1-5-26(6-2)33(31,32)19-11-12-21(22(13-19)28(29)30)25-15(3)20-14-24-27(16(20)4)18-9-7-17(23)8-10-18/h7-15,25H,5-6H2,1-4H3