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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N(CC(=O)OCC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N(CC(=O)OCC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H30N6O5S/c1-3-35-25-15-12-22(17-24(25)34-27(35)19-41-23-13-10-21(11-14-23)30(31)32)36(18-28(37)40-4-2)42(38,39)26-9-5-7-20-8-6-16-33-29(20)26/h5-17H,3-4,18-19H2,1-2H3,(H3,31,32)