phenyl 2-(butylsulfonylamino)-2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoate

Systemtic Name: phenyl 2-(butylsulfonylamino)-2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoate Openeye Name: phenyl 2-(butylsulfonylamino)-2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoate CAS Name: 2-(butylsulfonylamino)-2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]propanoic acid phenyl ester IUPAC Name: phenyl 2-(butylsulfonylamino)-2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoate Traditional Name: 2-[(5-amidinobenzofuran-2-carbonyl)amino]-2-(butylsulfonylamino)propionic acid phenyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)(C(=O)OC1=CC=CC=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(C)(C(=O)OC1=CC=CC=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C23H26N4O6S/c1-3-4-12-34(30,31)27-23(2,22(29)32-17-8-6-5-7-9-17)26-21(28)19-14-16-13-15(20(24)25)10-11-18(16)33-19/h5-11,13-14,27H,3-4,12H2,1-2H3,(H3,24,25)(H,26,28)