4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoranyl-3-nitro-phenyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoranyl-3-nitro-phenyl)butanamide Openeye Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitro-phenyl)butanamide CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitrophenyl)butanamide IUPAC Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitrophenyl)butanamide Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitro-phenyl)butyramide Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H20FN3O5S/c1-12-5-7-15(10-13(12)2)28(26,27)20-9-3-4-18(23)21-14-6-8-16(19)17(11-14)22(24)25/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,21,23)