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

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[[(4-carbamimidoylphenyl)thio]methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[[(4-amidinophenyl)thio]methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C29H28N6O4S2 MolecularWeight: 588.70042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H28N6O4S2/c1-3-39-27(36)17-35(41(37,38)25-8-4-6-19-7-5-15-32-28(19)25)21-11-14-24-23(16-21)33-26(34(24)2)18-40-22-12-9-20(10-13-22)29(30)31/h4-16H,3,17-18H2,1-2H3,(H3,30,31)