ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propanoate CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]propanoate Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propionic acid ethyl ester Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCN(CCC(=O)OCC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C23H29N5O4S/c1-4-28(13-12-22(29)32-5-2)33(30,31)18-10-11-20-19(15-18)26-21(27(20)3)14-16-6-8-17(9-7-16)23(24)25/h6-11,15H,4-5,12-14H2,1-3H3,(H3,24,25)