4-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylbutan-2-one

Systemtic Name: 4-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylbutan-2-one Openeye Name: 4-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylbutan-2-one CAS Name: 4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-2-butanone IUPAC Name: 4-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylbutan-2-one Traditional Name: 4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]butan-2-one Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCC(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCC(=O)C

InChI

InChI=1S/C18H25N3O3S2/c1-3-21-17-8-7-15(26(23,24)20-10-5-4-6-11-20)13-16(17)19-18(21)25-12-9-14(2)22/h7-8,13H,3-6,9-12H2,1-2H3