4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methylene]-2-(p-tolyl)isoquinoline-1,3-dione CAS Name: 4-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazino]methylene]-2-(p-tolyl)isoquinoline-1,3-quinone Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl)C2=O

InChI

InChI=1S/C27H24ClN3O4S/c1-19-6-10-21(11-7-19)31-26(32)24-5-3-2-4-23(24)25(27(31)33)18-29-14-16-30(17-15-29)36(34,35)22-12-8-20(28)9-13-22/h2-13,18H,14-17H2,1H3