ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propanoate CAS Name: 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]propanoate Traditional Name: 3-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]propionic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN(CCC(=O)OCC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H26N4O4S/c1-4-27(13-12-23(28)31-5-2)32(29,30)19-10-11-21-20(15-19)25-22(26(21)3)14-17-6-8-18(16-24)9-7-17/h6-11,15H,4-5,12-14H2,1-3H3