ethanoyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(naphthalen-2-ylsulfonylamino)propaneperoxoate

Systemtic Name: ethanoyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(naphthalen-2-ylsulfonylamino)propaneperoxoate Openeye Name: acetyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(2-naphthylsulfonylamino)propaneperoxoate CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(2-naphthalenylsulfonylamino)propaneperoxoic acid acetyl ester IUPAC Name: acetyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(naphthalen-2-ylsulfonylamino)propaneperoxoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(2-naphthylsulfonylamino)peroxypropionic acid acetyl ester Formula: C28H30N6O8S MolecularWeight: 610.6382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)OOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H30N6O8S/c1-18(35)41-42-28(38)24(32-43(39,40)23-11-8-19-4-2-3-5-21(19)14-23)15-31-25(36)16-34-13-12-33(17-26(34)37)22-9-6-20(7-10-22)27(29)30/h2-11,14,24,32H,12-13,15-17H2,1H3,(H3,29,30)(H,31,36)