2-[4-(azepan-1-ylsulfonyl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]isoindoline-1,3-quinone Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N2O4S/c23-19-17-7-3-4-8-18(17)20(24)22(19)15-9-11-16(12-10-15)27(25,26)21-13-5-1-2-6-14-21/h3-4,7-12H,1-2,5-6,13-14H2