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

Systemtic Name: 2-(2-methylphenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 3-(4-morpholinosulfonylanilino)-2-(o-tolyl)isoindolin-1-one CAS Name: 2-(2-methylphenyl)-3-[4-(4-morpholinylsulfonyl)anilino]-3H-isoindol-1-one IUPAC Name: 2-(2-methylphenyl)-3-(4-morpholin-4-ylsulfonylanilino)-3H-isoindol-1-one Traditional Name: 3-(4-morpholinosulfonylanilino)-2-(o-tolyl)isoindolin-1-one Formula: C25H25N3O4S MolecularWeight: 463.5487

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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)N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H25N3O4S/c1-18-6-2-5-9-23(18)28-24(21-7-3-4-8-22(21)25(28)29)26-19-10-12-20(13-11-19)33(30,31)27-14-16-32-17-15-27/h2-13,24,26H,14-17H2,1H3