(2S)-2-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-N-propyl-propanamide CAS Name: (2S)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide IUPAC Name: (2S)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide Traditional Name: (2S)-2-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-N-propyl-propionamide Formula: C12H16FN3O5S MolecularWeight: 333.335943

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H16FN3O5S/c1-3-6-14-12(17)8(2)15-22(20,21)9-4-5-10(13)11(7-9)16(18)19/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,17)/t8-/m0/s1