6-[[4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 6-[[4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 6-[[4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 6-[[4-methoxy-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 6-[[4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 6-[4-methoxy-3-(4-phenylpiperazino)sulfonyl-benzyl]pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O5S/c1-34-21-10-9-18(17-29-24(30)20-8-5-11-26-23(20)25(29)31)16-22(21)35(32,33)28-14-12-27(13-15-28)19-6-3-2-4-7-19/h2-11,16H,12-15,17H2,1H3