methyl 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate

Systemtic Name: methyl 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate Openeye Name: methyl 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]propanoate CAS Name: 2-(butylsulfonylamino)-3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-(butylsulfonylamino)propionic acid methyl ester Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C24H28N4O6S/c1-3-4-11-35(31,32)28-19(24(30)33-2)12-15-5-8-18(9-6-15)27-23(29)21-14-17-13-16(22(25)26)7-10-20(17)34-21/h5-10,13-14,19,28H,3-4,11-12H2,1-2H3,(H3,25,26)(H,27,29)