N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-fluoranyl-3-nitro-phenyl)amino]-N-phenyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-fluoranyl-3-nitro-phenyl)amino]-N-phenyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluoro-3-nitro-anilino)-N-phenyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-fluoro-3-nitroanilino)-N-phenylacetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluoro-3-nitroanilino)-N-phenylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-fluoro-3-nitro-anilino)-N-phenyl-acetamide Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2=CC=CC=C2)C(=O)CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O5S/c19-16-7-6-13(10-17(16)22(24)25)20-11-18(23)21(14-4-2-1-3-5-14)15-8-9-28(26,27)12-15/h1-7,10,15,20H,8-9,11-12H2/t15-/m0/s1