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

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C17H18FN3O5S MolecularWeight: 395.405323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O5S/c1-11-3-5-14(9-12(11)2)27(25,26)19-8-7-17(22)20-13-4-6-15(18)16(10-13)21(23)24/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)