ethyl 2-[[2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C28H23N5O5S MolecularWeight: 541.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N=C(N2)COC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N=C(N2)COC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H23N5O5S/c1-2-37-27(34)17-33(39(35,36)25-7-3-5-20-6-4-14-30-28(20)25)21-10-13-23-24(15-21)32-26(31-23)18-38-22-11-8-19(16-29)9-12-22/h3-15H,2,17-18H2,1H3,(H,31,32)