1-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-3,3-dimethyl-butan-2-one Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S2/c1-5-23-17-10-9-15(28(25,26)22-11-7-6-8-12-22)13-16(17)21-19(23)27-14-18(24)20(2,3)4/h9-10,13H,5-8,11-12,14H2,1-4H3