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

Systemtic Name: methyl 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]ethanoate Openeye Name: methyl 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]acetate CAS Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]sulfonylamino]acetate Traditional Name: 2-[[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]acetic acid methyl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-23-15-8-7-13(28(25,26)21-10-16(24)27-2)9-14(15)22-18(23)12-5-3-11(4-6-12)17(19)20/h3-9,21H,10H2,1-2H3,(H3,19,20)