N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)-4-nitro-benzenesulfonamide Openeye Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)-4-nitro-benzenesulfonamide CAS Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-4-nitro-N-p-phenetyl-benzenesulfonamide Formula: C18H18N2O7S2 MolecularWeight: 438.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S2/c1-2-27-17-7-3-14(4-8-17)19(16-11-12-28(23,24)13-16)29(25,26)18-9-5-15(6-10-18)20(21)22/h3-12,16H,2,13H2,1H3