3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-pyridin-3-yl-3H-isoindol-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-pyridin-3-yl-3H-isoindol-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(3-pyridyl)isoindolin-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-2-(3-pyridinyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-pyridin-3-yl-3H-isoindol-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(3-pyridyl)isoindolin-1-one Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CN=CC=C5

InChI

InChI=1S/C25H26N4O3S/c30-25-23-10-4-3-9-22(23)24(29(25)20-8-7-15-26-18-20)27-19-11-13-21(14-12-19)33(31,32)28-16-5-1-2-6-17-28/h3-4,7-15,18,24,27H,1-2,5-6,16-17H2