2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-1-phenylethanone IUPAC Name: 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-1-phenyl-ethanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-2-25-20-12-11-18(30(27,28)24-13-7-4-8-14-24)15-19(20)23-22(25)29-16-21(26)17-9-5-3-6-10-17/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3