ethyl 6-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]hexanoate

Systemtic Name: ethyl 6-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]hexanoate Openeye Name: ethyl 6-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]hexanoate CAS Name: 6-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]hexanoate Traditional Name: 6-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]hexanoic acid ethyl ester Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCC(=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(CCCCCC(=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/C26H35N5O4S/c1-4-31(16-8-6-7-9-25(32)35-5-2)36(33,34)21-14-15-23-22(18-21)29-24(30(23)3)17-19-10-12-20(13-11-19)26(27)28/h10-15,18H,4-9,16-17H2,1-3H3,(H3,27,28)