N-(4-fluoranyl-3-nitro-phenyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C16H15FN2O5S MolecularWeight: 366.364103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15FN2O5S/c17-14-7-6-13(10-15(14)19(21)22)18-16(20)8-9-25(23,24)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)