[[bis(azanyl)methylideneamino]-phenyl-methyl] 2-(butylsulfonylamino)-3-phenyl-propaneperoxoate

Systemtic Name: [[bis(azanyl)methylideneamino]-phenyl-methyl] 2-(butylsulfonylamino)-3-phenyl-propaneperoxoate Openeye Name: [guanidino(phenyl)methyl] 2-(butylsulfonylamino)-3-phenyl-propaneperoxoate CAS Name: 2-(butylsulfonylamino)-3-phenylpropaneperoxoic acid [(diaminomethylideneamino)-phenylmethyl] ester IUPAC Name: [(diaminomethylideneamino)-phenylmethyl] 2-(butylsulfonylamino)-3-phenylpropaneperoxoate Traditional Name: 2-(butylsulfonylamino)-3-phenyl-peroxypropionic acid [guanidino(phenyl)methyl] ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OOC(C2=CC=CC=C2)N=C(N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OOC(C2=CC=CC=C2)N=C(N)N

InChI

InChI=1S/C21H28N4O5S/c1-2-3-14-31(27,28)25-18(15-16-10-6-4-7-11-16)20(26)30-29-19(24-21(22)23)17-12-8-5-9-13-17/h4-13,18-19,25H,2-3,14-15H2,1H3,(H4,22,23,24)