methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methylsulfonylamino)phenyl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methylsulfonylamino)phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propionic acid methyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C21H23N5O4S/c1-30-19(27)10-9-13-5-8-16(11-17(13)26-31(2,28)29)21-24-12-18(25-21)14-3-6-15(7-4-14)20(22)23/h3-8,11-12,26H,9-10H2,1-2H3,(H3,22,23)(H,24,25)