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

Systemtic Name: ethyl 5-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoate Openeye Name: ethyl 5-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoate CAS Name: 5-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]pentanoate Traditional Name: 5-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]valeric acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-4-29(15-7-6-8-25(30)33-5-2)34(31,32)21-13-14-23-22(17-21)27-24(28(23)3)16-19-9-11-20(18-26)12-10-19/h9-14,17H,4-8,15-16H2,1-3H3