2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-tosyl-1,4-diazepan-1-yl)propyl]isoindoline-1,3-quinone Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N3O4S/c1-18-8-10-19(11-9-18)31(29,30)25-14-4-12-24(16-17-25)13-5-15-26-22(27)20-6-2-3-7-21(20)23(26)28/h2-3,6-11H,4-5,12-17H2,1H3