2-(2,4-dimethylphenyl)-4-[[(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethylphenyl)-4-[[5-morpholinosulfonyl-2-(1-piperidyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethylphenyl)-4-[[5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethylphenyl)-4-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethylphenyl)-4-[(5-morpholinosulfonyl-2-piperidino-anilino)methylene]isoquinoline-1,3-quinone Formula: C33H36N4O5S MolecularWeight: 600.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N6CCCCC6)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N6CCCCC6)C2=O)C

InChI

InChI=1S/C33H36N4O5S/c1-23-10-12-30(24(2)20-23)37-32(38)27-9-5-4-8-26(27)28(33(37)39)22-34-29-21-25(43(40,41)36-16-18-42-19-17-36)11-13-31(29)35-14-6-3-7-15-35/h4-5,8-13,20-22,34H,3,6-7,14-19H2,1-2H3