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

Systemtic Name: methyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C28H27N7O4S MolecularWeight: 557.62348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H27N7O4S/c1-34-23-13-12-21(15-22(23)33-25(34)16-32-20-10-8-19(9-11-20)28(29)30)35(17-26(36)39-2)40(37,38)24-7-3-5-18-6-4-14-31-27(18)24/h3-15,32H,16-17H2,1-2H3,(H3,29,30)