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

Systemtic Name: 2-(4-methoxyphenyl)-4-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-methoxyphenyl)-4-[(4-styrylsulfonylpiperazin-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-methoxyphenyl)-4-[[4-(2-phenylethenylsulfonyl)-1-piperazinyl]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-methoxyphenyl)-4-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(4-methoxyphenyl)-4-[(4-styrylsulfonylpiperazino)methylene]isoquinoline-1,3-quinone Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)S(=O)(=O)C=CC5=CC=CC=C5)C2=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)S(=O)(=O)C=CC5=CC=CC=C5)C2=O

InChI

InChI=1S/C29H27N3O5S/c1-37-24-13-11-23(12-14-24)32-28(33)26-10-6-5-9-25(26)27(29(32)34)21-30-16-18-31(19-17-30)38(35,36)20-15-22-7-3-2-4-8-22/h2-15,20-21H,16-19H2,1H3