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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonyl-methyl-amino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonyl-methyl-amino]propanoate CAS Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]sulfonyl-methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]sulfonyl-methylamino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]sulfonyl-methyl-amino]propionic acid methyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4S/c1-24(11-10-18(26)29-3)30(27,28)15-8-9-17-16(12-15)23-20(25(17)2)14-6-4-13(5-7-14)19(21)22/h4-9,12H,10-11H2,1-3H3,(H3,21,22)