2-(2-chlorophenyl)-4-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2-chlorophenyl)-4-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2-chlorophenyl)-4-[(4-styrylsulfonylpiperazin-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(2-chlorophenyl)-4-[[4-(2-phenylethenylsulfonyl)-1-piperazinyl]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2-chlorophenyl)-4-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2-chlorophenyl)-4-[(4-styrylsulfonylpiperazino)methylene]isoquinoline-1,3-quinone Formula: C28H24ClN3O4S MolecularWeight: 534.02586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl)S(=O)(=O)C=CC5=CC=CC=C5

InChI

InChI=1S/C28H24ClN3O4S/c29-25-12-6-7-13-26(25)32-27(33)23-11-5-4-10-22(23)24(28(32)34)20-30-15-17-31(18-16-30)37(35,36)19-14-21-8-2-1-3-9-21/h1-14,19-20H,15-18H2