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

Systemtic Name: ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoate Openeye Name: ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoate CAS Name: 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]pentanoate Traditional Name: 5-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]valeric acid ethyl ester Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC(=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(CCCCC(=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/C25H33N5O4S/c1-4-30(15-7-6-8-24(31)34-5-2)35(32,33)20-13-14-22-21(17-20)28-23(29(22)3)16-18-9-11-19(12-10-18)25(26)27/h9-14,17H,4-8,15-16H2,1-3H3,(H3,26,27)