2-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-pyrrolidinosulfonylbenzoyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C29H30N4O5S/c34-27(22-9-11-23(12-10-22)39(37,38)32-13-1-2-14-32)31-18-15-30(16-19-31)17-20-33-28(35)24-7-3-5-21-6-4-8-25(26(21)24)29(33)36/h3-12H,1-2,13-20H2