[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CC(=O)NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C28H28N4O6S/c33-26-19-32(25-12-5-4-11-24(25)29-26)27(34)20-38-28(35)22-9-6-10-23(17-22)39(36,37)31-15-13-30(14-16-31)18-21-7-2-1-3-8-21/h1-12,17H,13-16,18-20H2,(H,29,33)