2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholinosulfonylanilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-morpholinylsulfonyl)anilino]-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylanilino)-3H-isoindol-1-one Traditional Name: 3-(4-morpholinosulfonylanilino)-2-piperonyl-isoindolin-1-one Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H25N3O6S/c30-26-22-4-2-1-3-21(22)25(29(26)16-18-5-10-23-24(15-18)35-17-34-23)27-19-6-8-20(9-7-19)36(31,32)28-11-13-33-14-12-28/h1-10,15,25,27H,11-14,16-17H2