N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25ClN4O3S2/c1-31-15-21-25-18-7-3-4-8-19(18)27(21)14-22(28)24-16-9-10-17(23)20(13-16)32(29,30)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,24,28)