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

Systemtic Name: ethyl N-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoyl]-N-methyl-carbamate Openeye Name: ethyl N-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]-N-methyl-carbamate CAS Name: N-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]-1-oxoethyl]-N-methylcarbamic acid ethyl ester IUPAC Name: ethyl N-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetyl]-N-methylcarbamate Traditional Name: N-[2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]-N-methyl-carbamic acid ethyl ester Formula: C31H31N7O5S MolecularWeight: 613.68674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C(=O)CN(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)N(C)C(=O)CN(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/C31H31N7O5S/c1-4-43-31(40)37(3)28(39)19-38(44(41,42)26-9-5-7-21-8-6-16-34-29(21)26)23-14-15-25-24(18-23)35-27(36(25)2)17-20-10-12-22(13-11-20)30(32)33/h5-16,18H,4,17,19H2,1-3H3,(H3,32,33)