2-(2,5-dimethyl-4-piperazin-1-ylsulfonyl-phenyl)isoindole-1,3-dione

Systemtic Name: 2-(2,5-dimethyl-4-piperazin-1-ylsulfonyl-phenyl)isoindole-1,3-dione Openeye Name: 2-(2,5-dimethyl-4-piperazin-1-ylsulfonyl-phenyl)isoindoline-1,3-dione CAS Name: 2-[2,5-dimethyl-4-(1-piperazinylsulfonyl)phenyl]isoindole-1,3-dione IUPAC Name: 2-(2,5-dimethyl-4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione Traditional Name: 2-(2,5-dimethyl-4-piperazinosulfonyl-phenyl)isoindoline-1,3-quinone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCNCC2)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCNCC2)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O4S/c1-13-12-18(28(26,27)22-9-7-21-8-10-22)14(2)11-17(13)23-19(24)15-5-3-4-6-16(15)20(23)25/h3-6,11-12,21H,7-10H2,1-2H3