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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c30-26-24-12-6-5-11-23(24)25(29(26)19-20-9-3-1-4-10-20)27-21-13-15-22(16-14-21)33(31,32)28-17-7-2-8-18-28/h1,3-6,9-16,25,27H,2,7-8,17-19H2