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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propanoate CAS Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]sulfonylamino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propionic acid methyl ester Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H21N5O4S/c1-24-16-8-7-14(29(26,27)22-10-9-17(25)28-2)11-15(16)23-19(24)13-5-3-12(4-6-13)18(20)21/h3-8,11,22H,9-10H2,1-2H3,(H3,20,21)