3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C17H18FN3O7S MolecularWeight: 427.404123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18FN3O7S/c1-27-15-6-4-12(10-16(15)28-2)29(25,26)19-8-7-17(22)20-11-3-5-13(18)14(9-11)21(23)24/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)