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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-ethyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-ethyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-ethylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H26N6O5S MolecularWeight: 558.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

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