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

Systemtic Name: 2-[2-[(4-carbamimidoylphenoxy)methyl]-1-(quinolin-8-ylsulfonylamino)benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenoxy)methyl]-1-(8-quinolylsulfonylamino)benzimidazol-5-yl]acetic acid CAS Name: 2-[2-[(4-carbamimidoylphenoxy)methyl]-1-(8-quinolinylsulfonylamino)-5-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenoxy)methyl]-1-(quinolin-8-ylsulfonylamino)benzimidazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-amidinophenoxy)methyl]-1-(8-quinolylsulfonylamino)benzimidazol-5-yl]acetic acid Formula: C26H22N6O5S MolecularWeight: 530.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NN3C4=C(C=C(C=C4)CC(=O)O)N=C3COC5=CC=C(C=C5)C(=N)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NN3C4=C(C=C(C=C4)CC(=O)O)N=C3COC5=CC=C(C=C5)C(=N)N)N=CC=C2

InChI

InChI=1S/C26H22N6O5S/c27-26(28)18-7-9-19(10-8-18)37-15-23-30-20-13-16(14-24(33)34)6-11-21(20)32(23)31-38(35,36)22-5-1-3-17-4-2-12-29-25(17)22/h1-13,31H,14-15H2,(H3,27,28)(H,33,34)