2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H23N5O4S MolecularWeight: 525.57832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H23N5O4S/c1-32-24-13-12-22(16-23(24)31-26(32)14-11-19-7-9-20(17-29)10-8-19)33(18-27(34)35)38(36,37)25-6-2-4-21-5-3-15-30-28(21)25/h2-10,12-13,15-16H,11,14,18H2,1H3,(H,34,35)