2-[4-[4-(3-azanylpropanoyl)piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(3-azanylpropanoyl)piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-(3-amino-1-oxopropyl)-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(3-aminopropanoyl)piperazino]sulfonylphenyl]isoindoline-1,3-quinone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C(=O)CCN)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N4O5S/c22-10-9-19(26)23-11-13-24(14-12-23)31(29,30)16-7-5-15(6-8-16)25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8H,9-14,22H2