4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N-(4-fluoranyl-3-nitro-phenyl)-3-methyl-benzamide

Systemtic Name: 4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N-(4-fluoranyl-3-nitro-phenyl)-3-methyl-benzamide Openeye Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitro-phenyl)-3-methyl-benzamide CAS Name: 4-(1,1-dioxo-2-thiazinanyl)-N-(4-fluoro-3-nitrophenyl)-3-methylbenzamide IUPAC Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)-3-methylbenzamide Traditional Name: 4-(1,1-diketothiazinan-2-yl)-N-(4-fluoro-3-nitro-phenyl)-3-methyl-benzamide Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])N3CCCCS3(=O)=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])N3CCCCS3(=O)=O

InChI

InChI=1S/C18H18FN3O5S/c1-12-10-13(4-7-16(12)21-8-2-3-9-28(21,26)27)18(23)20-14-5-6-15(19)17(11-14)22(24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)