2-(5-methylpyridin-2-yl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(5-methylpyridin-2-yl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(5-methyl-2-pyridyl)-3-[4-(1-piperidylsulfonyl)anilino]isoindolin-1-one CAS Name: 2-(5-methyl-2-pyridinyl)-3-[4-(1-piperidinylsulfonyl)anilino]-3H-isoindol-1-one IUPAC Name: 2-(5-methylpyridin-2-yl)-3-(4-piperidin-1-ylsulfonylanilino)-3H-isoindol-1-one Traditional Name: 2-(5-methyl-2-pyridyl)-3-(4-piperidinosulfonylanilino)isoindolin-1-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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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)N5CCCCC5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H26N4O3S/c1-18-9-14-23(26-17-18)29-24(21-7-3-4-8-22(21)25(29)30)27-19-10-12-20(13-11-19)33(31,32)28-15-5-2-6-16-28/h3-4,7-14,17,24,27H,2,5-6,15-16H2,1H3