2-(2,4,6-trimethyl-3-piperazin-1-ylsulfonyl-phenyl)isoindole-1,3-dione

Systemtic Name: 2-(2,4,6-trimethyl-3-piperazin-1-ylsulfonyl-phenyl)isoindole-1,3-dione Openeye Name: 2-(2,4,6-trimethyl-3-piperazin-1-ylsulfonyl-phenyl)isoindoline-1,3-dione CAS Name: 2-[2,4,6-trimethyl-3-(1-piperazinylsulfonyl)phenyl]isoindole-1,3-dione IUPAC Name: 2-(2,4,6-trimethyl-3-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione Traditional Name: 2-(2,4,6-trimethyl-3-piperazinosulfonyl-phenyl)isoindoline-1,3-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N2C(=O)C3=CC=CC=C3C2=O)C)S(=O)(=O)N4CCNCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1N2C(=O)C3=CC=CC=C3C2=O)C)S(=O)(=O)N4CCNCC4)C

InChI

InChI=1S/C21H23N3O4S/c1-13-12-14(2)19(29(27,28)23-10-8-22-9-11-23)15(3)18(13)24-20(25)16-6-4-5-7-17(16)21(24)26/h4-7,12,22H,8-11H2,1-3H3