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

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C29H28N6O4S MolecularWeight: 556.63542

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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=C1CCC5=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=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H28N6O4S/c1-2-34-24-14-13-22(17-23(24)33-26(34)15-10-19-8-11-21(12-9-19)29(30)31)35(18-27(36)37)40(38,39)25-7-3-5-20-6-4-16-32-28(20)25/h3-9,11-14,16-17H,2,10,15,18H2,1H3,(H3,30,31)(H,36,37)