2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C23H27FN4O3S2 MolecularWeight: 490.613883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN4O3S2/c1-2-28-21-11-10-19(33(30,31)27-12-4-3-5-13-27)14-20(21)26-23(28)32-16-22(29)25-15-17-6-8-18(24)9-7-17/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,25,29)