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

Systemtic Name: 2-[[1-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[1-(4-morpholinosulfonylbenzoyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[1-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-4-piperidinyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[1-(4-morpholinosulfonylbenzoyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H29N3O6S MolecularWeight: 547.62206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C29H29N3O6S/c33-27(22-7-9-23(10-8-22)39(36,37)31-15-17-38-18-16-31)30-13-11-20(12-14-30)19-32-28(34)24-5-1-3-21-4-2-6-25(26(21)24)29(32)35/h1-10,20H,11-19H2