2-(2,4-dimethylphenyl)-4-[[(3-piperidin-1-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[(3-piperidin-1-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethylphenyl)-4-[[3-(1-piperidylsulfonyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethylphenyl)-4-[[3-(1-piperidinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethylphenyl)-4-[(3-piperidin-1-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethylphenyl)-4-[(3-piperidinosulfonylanilino)methylene]isoquinoline-1,3-quinone Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C2=O)C

InChI

InChI=1S/C29H29N3O4S/c1-20-13-14-27(21(2)17-20)32-28(33)25-12-5-4-11-24(25)26(29(32)34)19-30-22-9-8-10-23(18-22)37(35,36)31-15-6-3-7-16-31/h4-5,8-14,17-19,30H,3,6-7,15-16H2,1-2H3