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

Systemtic Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butanoate Openeye Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butanoate CAS Name: 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]butanoate Traditional Name: 4-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butyric acid ethyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-4-28(14-6-7-24(29)32-5-2)33(30,31)20-12-13-22-21(16-20)26-23(27(22)3)15-18-8-10-19(17-25)11-9-18/h8-13,16H,4-7,14-15H2,1-3H3