2-butyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[3-(4-ethylpiperazino)sulfonylphenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC

InChI

InChI=1S/C25H30N4O5S/c1-3-5-11-29-24(31)21-10-9-18(16-22(21)25(29)32)23(30)26-19-7-6-8-20(17-19)35(33,34)28-14-12-27(4-2)13-15-28/h6-10,16-17H,3-5,11-15H2,1-2H3,(H,26,30)