N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23ClN4O3S2/c1-25-18-8-4-3-7-17(18)24-21(25)30-14-20(27)23-15-9-10-16(22)19(13-15)31(28,29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)