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

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

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

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CC=CC=N5


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CC=CC=N5


InChI

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


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