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

Systemtic Name: ethyl 3-[2-[(4-carbamimidoylphenyl)methyl]-5-(phenylsulfonylamino)benzimidazol-1-yl]propanoate Openeye Name: ethyl 3-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]propanoate CAS Name: 3-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-(4-amidinobenzyl)-5-(benzenesulfonamido)benzimidazol-1-yl]propionic acid ethyl ester Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27N5O4S/c1-2-35-25(32)14-15-31-23-13-12-20(30-36(33,34)21-6-4-3-5-7-21)17-22(23)29-24(31)16-18-8-10-19(11-9-18)26(27)28/h3-13,17,30H,2,14-16H2,1H3,(H3,27,28)