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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1-piperidylsulfonyl)anilino]isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1-piperidinylsulfonyl)anilino]-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylanilino)-3H-isoindol-1-one Traditional Name: 3-(4-piperidinosulfonylanilino)-2-piperonyl-isoindolin-1-one Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27N3O5S/c31-27-23-7-3-2-6-22(23)26(30(27)17-19-8-13-24-25(16-19)35-18-34-24)28-20-9-11-21(12-10-20)36(32,33)29-14-4-1-5-15-29/h2-3,6-13,16,26,28H,1,4-5,14-15,17-18H2