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

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-ethylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H32N6O4S MolecularWeight: 584.68858

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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=C1CCC5=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=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H32N6O4S/c1-3-36-26-16-15-24(19-25(26)35-28(36)17-12-21-10-13-23(14-11-21)31(32)33)37(20-29(38)41-4-2)42(39,40)27-9-5-7-22-8-6-18-34-30(22)27/h5-11,13-16,18-19H,3-4,12,17,20H2,1-2H3,(H3,32,33)