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

Systemtic Name: ethyl 2-[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]acetate CAS Name: 2-[[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]acetic acid ethyl ester Formula: C31H31N7O6S MolecularWeight: 629.68614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CNC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H31N7O6S/c1-3-43-29(40)17-35-28(39)18-38(45(41,42)26-8-4-6-20-7-5-15-34-30(20)26)22-11-14-25-24(16-22)36-27(37(25)2)19-44-23-12-9-21(10-13-23)31(32)33/h4-16H,3,17-19H2,1-2H3,(H3,32,33)(H,35,39)