(1E)-1-nitro-1-[3-(phenylsulfonyl)-1,3-thiazinan-2-ylidene]pentan-2-one

Systemtic Name: (1E)-1-nitro-1-[3-(phenylsulfonyl)-1,3-thiazinan-2-ylidene]pentan-2-one Openeye Name: (1E)-1-[3-(benzenesulfonyl)-1,3-thiazinan-2-ylidene]-1-nitro-pentan-2-one CAS Name: (1E)-1-[3-(benzenesulfonyl)-1,3-thiazinan-2-ylidene]-1-nitro-2-pentanone IUPAC Name: (1E)-1-[3-(benzenesulfonyl)-1,3-thiazinan-2-ylidene]-1-nitropentan-2-one Traditional Name: (1E)-1-(3-besyl-1,3-thiazinan-2-ylidene)-1-nitro-pentan-2-one Formula: C15H18N2O5S2 MolecularWeight: 370.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C1N(CCCS1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)/C(=C\1/N(CCCS1)S(=O)(=O)C2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5S2/c1-2-7-13(18)14(17(19)20)15-16(10-6-11-23-15)24(21,22)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3/b15-14+