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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[[(4-amidinobenzyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H31N7O4S MolecularWeight: 585.67664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CNCC3=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)CNCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H31N7O4S/c1-3-41-28(38)19-37(42(39,40)26-8-4-6-21-7-5-15-34-29(21)26)23-13-14-25-24(16-23)35-27(36(25)2)18-33-17-20-9-11-22(12-10-20)30(31)32/h4-16,33H,3,17-19H2,1-2H3,(H3,31,32)