ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-methylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-methylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-methylsulfonyl-amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]-methylsulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]-methylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-mesyl-amino]acetic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C#N)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C#N)C)S(=O)(=O)C

InChI

InChI=1S/C22H24N4O4S/c1-4-30-22(27)15-26(31(3,28)29)18-10-11-20-19(13-18)24-21(25(20)2)12-9-16-5-7-17(14-23)8-6-16/h5-8,10-11,13H,4,9,12,15H2,1-3H3