ethyl 7-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonylamino]octanoate

Systemtic Name: ethyl 7-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonylamino]octanoate Openeye Name: ethyl 7-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonylamino]octanoate CAS Name: 7-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonylamino]octanoic acid ethyl ester IUPAC Name: ethyl 7-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonylamino]octanoate Traditional Name: 7-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]caprylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(C)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CCCCCC(C)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C26H32N4O4S/c1-4-34-26(31)9-7-5-6-8-19(2)29-35(32,33)22-14-15-24-23(17-22)28-25(30(24)3)16-20-10-12-21(18-27)13-11-20/h10-15,17,19,29H,4-9,16H2,1-3H3