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

Systemtic Name: 2-[[1-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[1-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-4-piperidinyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[1-(4-pyrrolidinosulfonylbenzoyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H29N3O5S MolecularWeight: 531.62266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C29H29N3O5S/c33-27(22-9-11-23(12-10-22)38(36,37)31-15-1-2-16-31)30-17-13-20(14-18-30)19-32-28(34)24-7-3-5-21-6-4-8-25(26(21)24)29(32)35/h3-12,20H,1-2,13-19H2