2-(2-methylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(2-methylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(o-tolyl)-3-[4-(1-piperidylsulfonyl)anilino]isoindolin-1-one CAS Name: 2-(2-methylphenyl)-3-[4-(1-piperidinylsulfonyl)anilino]-3H-isoindol-1-one IUPAC Name: 2-(2-methylphenyl)-3-(4-piperidin-1-ylsulfonylanilino)-3H-isoindol-1-one Traditional Name: 2-(o-tolyl)-3-(4-piperidinosulfonylanilino)isoindolin-1-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H27N3O3S/c1-19-9-3-6-12-24(19)29-25(22-10-4-5-11-23(22)26(29)30)27-20-13-15-21(16-14-20)33(31,32)28-17-7-2-8-18-28/h3-6,9-16,25,27H,2,7-8,17-18H2,1H3