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

Systemtic Name: 2-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(4-methylpiperazino)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H31N5O5S MolecularWeight: 477.57704

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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)N4CCN(CC4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H31N5O5S/c1-3-4-7-27-21(29)18-6-5-17(16-19(18)22(27)30)20(28)24-10-14-26(15-11-24)33(31,32)25-12-8-23(2)9-13-25/h5-6,16H,3-4,7-15H2,1-2H3