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

Systemtic Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]butanoate Openeye Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]butanoate CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]butanoate Traditional Name: 4-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]butyric acid ethyl ester Formula: C31H32N6O4S MolecularWeight: 584.68858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CCCN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H32N6O4S/c1-3-41-29(38)10-6-18-37(42(39,40)27-9-4-7-22-8-5-17-34-30(22)27)24-15-16-26-25(20-24)35-28(36(26)2)19-21-11-13-23(14-12-21)31(32)33/h4-5,7-9,11-17,20H,3,6,10,18-19H2,1-2H3,(H3,32,33)