5-methyl-2-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[2-[(4-phenyl-1-piperazinyl)sulfonyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]isoindole-1,3-dione Traditional Name: 5-methyl-2-[2-(4-phenylpiperazino)sulfonylethyl]isoindoline-1,3-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-16-7-8-18-19(15-16)21(26)24(20(18)25)13-14-29(27,28)23-11-9-22(10-12-23)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3