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

Systemtic Name: methyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyanophenyl)methylthio]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-cyanobenzyl)thio]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C28H23N5O4S2 MolecularWeight: 557.64332

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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=C1SCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H23N5O4S2/c1-32-24-13-12-22(15-23(24)31-28(32)38-18-20-10-8-19(16-29)9-11-20)33(17-26(34)37-2)39(35,36)25-7-3-5-21-6-4-14-30-27(21)25/h3-15H,17-18H2,1-2H3