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

Systemtic Name: methyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-6-yl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-6-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C28H22N4O5S MolecularWeight: 526.56308

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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)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)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H22N4O5S/c1-36-27(33)18-32(38(34,35)25-6-2-4-21-5-3-15-30-28(21)25)22-12-13-23-24(16-22)37-26(31-23)14-11-19-7-9-20(17-29)10-8-19/h2-10,12-13,15-16H,11,14,18H2,1H3