3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(5-methyl-2-pyridyl)isoindolin-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(5-methyl-2-pyridyl)isoindolin-1-one Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H28N4O3S/c1-19-10-15-24(27-18-19)30-25(22-8-4-5-9-23(22)26(30)31)28-20-11-13-21(14-12-20)34(32,33)29-16-6-2-3-7-17-29/h4-5,8-15,18,25,28H,2-3,6-7,16-17H2,1H3