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

Systemtic Name: 2-[2-(3,4-dimethoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[3,4-dimethoxy-5-(1-pyrrolidinylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxy-5-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(3,4-dimethoxy-5-pyrrolidinosulfonyl-phenyl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H26N2O6S MolecularWeight: 494.55944

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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)N5CCCC5)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCC5)OC

InChI

InChI=1S/C26H26N2O6S/c1-33-21-15-17(16-22(24(21)34-2)35(31,32)27-12-3-4-13-27)11-14-28-25(29)19-9-5-7-18-8-6-10-20(23(18)19)26(28)30/h5-10,15-16H,3-4,11-14H2,1-2H3