N,N-diethyl-3-nitro-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide Formula: C17H24F3N3O4S MolecularWeight: 423.45037

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2CCCC(C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N[C@H]2CCC[C@@H](C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H24F3N3O4S/c1-3-22(4-2)28(26,27)14-8-9-15(16(11-14)23(24)25)21-13-7-5-6-12(10-13)17(18,19)20/h8-9,11-13,21H,3-7,10H2,1-2H3/t12-,13-/m0/s1