4-[1,1-bis(oxidanylidene)-4-(phenylsulfonyl)-2,5-dihydrothiophen-2-yl]-N-(phenylmethyl)butan-1-imine oxide

Systemtic Name: 4-[1,1-bis(oxidanylidene)-4-(phenylsulfonyl)-2,5-dihydrothiophen-2-yl]-N-(phenylmethyl)butan-1-imine oxide Openeye Name: 4-[4-(benzenesulfonyl)-1,1-dioxo-2,5-dihydrothiophen-2-yl]-N-benzyl-butan-1-imine oxide CAS Name: 4-[4-(benzenesulfonyl)-1,1-dioxo-2,5-dihydrothiophen-2-yl]-N-(phenylmethyl)-1-butanimine oxide IUPAC Name: 4-[4-(benzenesulfonyl)-1,1-dioxo-2,5-dihydrothiophen-2-yl]-N-benzylbutan-1-imine oxide Traditional Name: N-benzyl-4-(4-besyl-1,1-diketo-2,5-dihydrothiophen-2-yl)butan-1-imine oxide Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(S1(=O)=O)CCCC=[N+](CC2=CC=CC=C2)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(=CC(S1(=O)=O)CCC/C=[N+](\CC2=CC=CC=C2)/[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S2/c23-22(16-18-9-3-1-4-10-18)14-8-7-13-20-15-21(17-28(20,24)25)29(26,27)19-11-5-2-6-12-19/h1-6,9-12,14-15,20H,7-8,13,16-17H2/b22-14+