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

Systemtic Name: N-(2-cyanoethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C25H28FN5O3S2 MolecularWeight: 529.649923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN5O3S2/c1-2-30-23-12-11-21(36(33,34)29-14-4-3-5-15-29)17-22(23)28-25(30)35-18-24(32)31(16-6-13-27)20-9-7-19(26)8-10-20/h7-12,17H,2-6,14-16,18H2,1H3