ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C29H27N5O5S MolecularWeight: 557.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)OC(=N2)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)OC(=N2)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H27N5O5S/c1-2-38-27(35)18-34(40(36,37)25-7-3-5-20-6-4-16-32-28(20)25)22-13-14-24-23(17-22)33-26(39-24)15-10-19-8-11-21(12-9-19)29(30)31/h3-9,11-14,16-17H,2,10,15,18H2,1H3,(H3,30,31)