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

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)amino]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(4-carbamimidoylanilino)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-(4-carbamimidoylanilino)-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamimidoylanilino)-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-(4-amidinoanilino)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C28H27N7O4S MolecularWeight: 557.62348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)NC3=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)NC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H27N7O4S/c1-3-39-25(36)17-35(40(37,38)24-8-4-6-18-7-5-15-31-26(18)24)21-13-14-23-22(16-21)33-28(34(23)2)32-20-11-9-19(10-12-20)27(29)30/h4-16H,3,17H2,1-2H3,(H3,29,30)(H,32,33)