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

Systemtic Name: 2-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-[[(3-piperidin-1-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-morpholino-phenyl)-4-[[3-(1-piperidylsulfonyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: 2-[5-chloro-2-(4-morpholinyl)phenyl]-4-[[3-(1-piperidinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloro-2-morpholin-4-ylphenyl)-4-[(3-piperidin-1-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-morpholino-phenyl)-4-[(3-piperidinosulfonylanilino)methylene]isoquinoline-1,3-quinone Formula: C31H31ClN4O5S MolecularWeight: 607.11964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=C(C=CC(=C5)Cl)N6CCOCC6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=C(C=CC(=C5)Cl)N6CCOCC6

InChI

InChI=1S/C31H31ClN4O5S/c32-22-11-12-28(34-15-17-41-18-16-34)29(19-22)36-30(37)26-10-3-2-9-25(26)27(31(36)38)21-33-23-7-6-8-24(20-23)42(39,40)35-13-4-1-5-14-35/h2-3,6-12,19-21,33H,1,4-5,13-18H2