methyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-6-yl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1,3-benzoxazol-6-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1=CC2=C(C=C1)N=C(O2)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC(=O)CN(C1=CC2=C(C=C1)N=C(O2)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H25N5O5S/c1-37-26(34)17-33(39(35,36)24-6-2-4-19-5-3-15-31-27(19)24)21-12-13-22-23(16-21)38-25(32-22)14-9-18-7-10-20(11-8-18)28(29)30/h2-8,10-13,15-16H,9,14,17H2,1H3,(H3,29,30)