ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoate Openeye Name: ethyl 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-besyl-amino]acetic acid ethyl ester Formula: C26H27N5O5S MolecularWeight: 521.58808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O5S/c1-3-35-25(32)16-31(37(33,34)21-7-5-4-6-8-21)19-11-14-23-22(15-19)29-24(30(23)2)17-36-20-12-9-18(10-13-20)26(27)28/h4-15H,3,16-17H2,1-2H3,(H3,27,28)