methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-(methylsulfonylamino)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate

Systemtic Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-(methylsulfonylamino)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate Openeye Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-(methanesulfonamido)phenyl]-2-oxo-imidazolidin-1-yl]propanoate CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methanesulfonamido)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-(methanesulfonamido)phenyl]-2-oxoimidazolidin-1-yl]propanoate Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-(methanesulfonamido)phenyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C

Isomeric SMILES

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C21H25N5O5S/c1-31-19(27)9-10-25-11-12-26(21(25)28)18-8-7-16(13-17(18)24-32(2,29)30)14-3-5-15(6-4-14)20(22)23/h3-8,13,24H,9-12H2,1-2H3,(H3,22,23)