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

Systemtic Name: ethyl 5-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-(2-methylpropyl)amino]pentanoate Openeye Name: ethyl 5-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-isobutyl-amino]pentanoate CAS Name: 5-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-(2-methylpropyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-(2-methylpropyl)amino]pentanoate Traditional Name: 5-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-isobutyl-amino]valeric acid ethyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CCCCN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C27H34N4O4S/c1-5-35-27(32)8-6-7-15-31(19-20(2)3)36(33,34)23-13-14-25-24(17-23)29-26(30(25)4)16-21-9-11-22(18-28)12-10-21/h9-14,17,20H,5-8,15-16,19H2,1-4H3