disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfamoyl-phenyl]ethenyl]-5-methyl-benzenesulfonamide

Systemtic Name: disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfamoyl-phenyl]ethenyl]-5-methyl-benzenesulfonamide Openeye Name: disodium 2-[(E)-2-(4-isoindolin-1-yl-2-sulfamoyl-phenyl)vinyl]-5-methyl-benzenesulfonamide CAS Name: disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfamoylphenyl]ethenyl]-5-methylbenzenesulfonamide IUPAC Name: disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfamoylphenyl]ethenyl]-5-methylbenzenesulfonamide Traditional Name: disodium 2-[(E)-2-(4-isoindolin-1-yl-2-sulfamoyl-phenyl)vinyl]-5-methyl-benzenesulfonamide Formula: C23H23N3Na2O4S2+2 MolecularWeight: 515.55596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)C3C4=CC=CC=C4CN3)S(=O)(=O)N)S(=O)(=O)N.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)C3C4=CC=CC=C4CN3)S(=O)(=O)N)S(=O)(=O)N.[Na+].[Na+]

InChI

InChI=1S/C23H23N3O4S2.2Na/c1-15-6-7-16(21(12-15)31(24,27)28)8-9-17-10-11-18(13-22(17)32(25,29)30)23-20-5-3-2-4-19(20)14-26-23;;/h2-13,23,26H,14H2,1H3,(H2,24,27,28)(H2,25,29,30);;/q;2*+1/b9-8+;;