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

Systemtic Name: 2-[(2-chlorophenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-[(2-chlorophenyl)methyl]-3-[4-(1-piperidylsulfonyl)anilino]isoindolin-1-one CAS Name: 2-[(2-chlorophenyl)methyl]-3-[4-(1-piperidinylsulfonyl)anilino]-3H-isoindol-1-one IUPAC Name: 2-[(2-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylanilino)-3H-isoindol-1-one Traditional Name: 2-(2-chlorobenzyl)-3-(4-piperidinosulfonylanilino)isoindolin-1-one Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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=C5Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H26ClN3O3S/c27-24-11-5-2-8-19(24)18-30-25(22-9-3-4-10-23(22)26(30)31)28-20-12-14-21(15-13-20)34(32,33)29-16-6-1-7-17-29/h2-5,8-15,25,28H,1,6-7,16-18H2