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

Systemtic Name: ethanoyl 2-(butylsulfonylamino)-3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propaneperoxoate Openeye Name: acetyl 2-(butylsulfonylamino)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propaneperoxoate CAS Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propaneperoxoic acid acetyl ester IUPAC Name: acetyl 2-(butylsulfonylamino)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]propaneperoxoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(butylsulfonylamino)peroxypropionic acid acetyl ester Formula: C22H32N6O8S MolecularWeight: 540.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)C(=O)OOC(=O)C

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)C(=O)OOC(=O)C

InChI

InChI=1S/C22H32N6O8S/c1-3-4-11-37(33,34)26-18(22(32)36-35-15(2)29)12-25-19(30)13-28-10-9-27(14-20(28)31)17-7-5-16(6-8-17)21(23)24/h5-8,18,26H,3-4,9-14H2,1-2H3,(H3,23,24)(H,25,30)