2-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(1-azepanylsulfonyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(azepan-1-ylsulfonyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H30N4O4S/c26-20-18-8-3-4-9-19(18)21(27)25(20)13-7-10-22-14-16-24(17-15-22)30(28,29)23-11-5-1-2-6-12-23/h3-4,8-9H,1-2,5-7,10-17H2