2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[2-methyl-5-(1-piperidylsulfonyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[2-methyl-5-(1-piperidinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-piperidin-1-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(2-methyl-5-piperidinosulfonyl-anilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O6S/c1-20-9-11-22(40(36,37)32-13-5-2-6-14-32)16-26(20)31-17-25-23-7-3-4-8-24(23)29(34)33(30(25)35)18-21-10-12-27-28(15-21)39-19-38-27/h3-4,7-12,15-17,31H,2,5-6,13-14,18-19H2,1H3