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

Systemtic Name: methyl 2-(butylsulfonylamino)-3-[4-[(5-cyano-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate Openeye Name: methyl 2-(butylsulfonylamino)-3-[4-[(5-cyanobenzofuran-2-carbonyl)amino]phenyl]propanoate CAS Name: 2-(butylsulfonylamino)-3-[4-[[(5-cyano-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(butylsulfonylamino)-3-[4-[(5-cyano-1-benzofuran-2-carbonyl)amino]phenyl]propanoate Traditional Name: 2-(butylsulfonylamino)-3-[4-[(5-cyanobenzofuran-2-carbonyl)amino]phenyl]propionic acid methyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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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)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)C(=O)OC

InChI

InChI=1S/C24H25N3O6S/c1-3-4-11-34(30,31)27-20(24(29)32-2)13-16-5-8-19(9-6-16)26-23(28)22-14-18-12-17(15-25)7-10-21(18)33-22/h5-10,12,14,20,27H,3-4,11,13H2,1-2H3,(H,26,28)