2-butyl-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O5S/c1-2-3-10-27-22(29)19-9-4-16(15-20(19)23(27)30)21(28)25-11-13-26(14-12-25)33(31,32)18-7-5-17(24)6-8-18/h4-9,15H,2-3,10-14H2,1H3