4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzenesulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O5S/c1-3-28(4-2)35(31,32)20-12-10-19(11-13-20)27-25-21-7-5-6-8-22(21)26(30)29(25)16-18-9-14-23-24(15-18)34-17-33-23/h5-15,25,27H,3-4,16-17H2,1-2H3