2-[2-(3,4-dimethoxy-5-piperidin-1-ylsulfonyl-phenyl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxy-5-piperidin-1-ylsulfonyl-phenyl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[3,4-dimethoxy-5-(1-piperidylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[3,4-dimethoxy-5-(1-piperidinylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(3,4-dimethoxy-5-piperidinosulfonyl-phenyl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCC5)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCC5)OC

InChI

InChI=1S/C27H28N2O6S/c1-34-22-16-18(17-23(25(22)35-2)36(32,33)28-13-4-3-5-14-28)12-15-29-26(30)20-10-6-8-19-9-7-11-21(24(19)20)27(29)31/h6-11,16-17H,3-5,12-15H2,1-2H3