ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(8-quinolinylsulfonylamino)-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(4-amidinophenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]acetic acid ethyl ester Formula: C28H26N6O5S MolecularWeight: 558.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H26N6O5S/c1-2-38-26(35)16-34-23-13-10-20(33-40(36,37)24-7-3-5-18-6-4-14-31-27(18)24)15-22(23)32-25(34)17-39-21-11-8-19(9-12-21)28(29)30/h3-15,33H,2,16-17H2,1H3,(H3,29,30)