ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]propanoate CAS Name: 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]propanoate Traditional Name: 3-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]propionic acid ethyl ester Formula: C30H30N6O5S MolecularWeight: 586.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(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)CCN(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/C30H30N6O5S/c1-3-40-28(37)15-17-36(42(38,39)26-8-4-6-20-7-5-16-33-29(20)26)22-11-14-25-24(18-22)34-27(35(25)2)19-41-23-12-9-21(10-13-23)30(31)32/h4-14,16,18H,3,15,17,19H2,1-2H3,(H3,31,32)