(NE)-4-methyl-N-(4-oxidanyl-3-phenylsulfanyl-isochromen-1-ylidene)benzenesulfonamide

Systemtic Name: (NE)-4-methyl-N-(4-oxidanyl-3-phenylsulfanyl-isochromen-1-ylidene)benzenesulfonamide Openeye Name: (NE)-N-(4-hydroxy-3-phenylsulfanyl-isochromen-1-ylidene)-4-methyl-benzenesulfonamide CAS Name: (NE)-N-[4-hydroxy-3-(phenylthio)-2-benzopyran-1-ylidene]-4-methylbenzenesulfonamide IUPAC Name: (NE)-N-(4-hydroxy-3-phenylsulfanylisochromen-1-ylidene)-4-methylbenzenesulfonamide Traditional Name: (NE)-N-[4-hydroxy-3-(phenylthio)isochromen-1-ylidene]-4-methyl-benzenesulfonamide Formula: C22H17NO4S2 MolecularWeight: 423.50468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C3=CC=CC=C3C(=C(O2)SC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3C(=C(O2)SC4=CC=CC=C4)O

InChI

InChI=1S/C22H17NO4S2/c1-15-11-13-17(14-12-15)29(25,26)23-21-19-10-6-5-9-18(19)20(24)22(27-21)28-16-7-3-2-4-8-16/h2-14,24H,1H3/b23-21+