3-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-(4-methylsulfonylphenyl)-5-oxidanyl-furan-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-(4-methylsulfonylphenyl)-5-oxidanyl-furan-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-hydroxy-5-(4-methylsulfonylphenyl)furan-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-hydroxy-5-(4-methylsulfonylphenyl)-2-furanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-5-hydroxy-5-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-mesylphenyl)-4-(piazthiol-5-ylmethyl)furan-2-one Formula: C25H18N2O7S2 MolecularWeight: 522.54962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC6=NSN=C6C=C5)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC6=NSN=C6C=C5)O

InChI

InChI=1S/C25H18N2O7S2/c1-36(30,31)17-6-4-16(5-7-17)25(29)18(10-14-2-8-19-20(11-14)27-35-26-19)23(24(28)34-25)15-3-9-21-22(12-15)33-13-32-21/h2-9,11-12,29H,10,13H2,1H3