2-[[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(dimethylamino)-5-piperidinosulfonyl-anilino]methyl]isoindoline-1,3-quinone Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H26N4O4S/c1-24(2)20-11-10-16(31(29,30)25-12-6-3-7-13-25)14-19(20)23-15-26-21(27)17-8-4-5-9-18(17)22(26)28/h4-5,8-11,14,23H,3,6-7,12-13,15H2,1-2H3