4-[3-(4-ethylsulfanylphenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide

Systemtic Name: 4-[3-(4-ethylsulfanylphenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide Openeye Name: 4-[3-(4-ethylsulfanylphenyl)-5,5-dimethyl-4-oxo-2-furyl]benzenesulfonamide CAS Name: 4-[3-[4-(ethylthio)phenyl]-5,5-dimethyl-4-oxo-2-furanyl]benzenesulfonamide IUPAC Name: 4-[3-(4-ethylsulfanylphenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide Traditional Name: 4-[3-[4-(ethylthio)phenyl]-4-keto-5,5-dimethyl-2-furyl]benzenesulfonamide Formula: C20H21NO4S2 MolecularWeight: 403.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=C(OC(C2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=C(OC(C2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21NO4S2/c1-4-26-15-9-5-13(6-10-15)17-18(25-20(2,3)19(17)22)14-7-11-16(12-8-14)27(21,23)24/h5-12H,4H2,1-3H3,(H2,21,23,24)