methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfonylphenyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfonylphenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfonylphenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfonylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfonylphenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-mesylphenyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C26H25N5O5S/c1-36-23(32)12-13-29-26(33)18-10-11-22-21(14-18)30-25(17-8-6-16(7-9-17)24(27)28)31(22)19-4-3-5-20(15-19)37(2,34)35/h3-11,14-15H,12-13H2,1-2H3,(H3,27,28)(H,29,33)