4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-3-nitro-benzenesulfonamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=C(C(=C2)C)O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=C(C(=C2)C)O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-5-21(6-2)28(26,27)16-7-8-17(18(11-16)22(24)25)20-12-15-9-13(3)19(23)14(4)10-15/h7-11,20,23H,5-6,12H2,1-4H3