1-[4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]piperazino]ethanone Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCN(CC4)C(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C21H31N5O3S/c1-3-26-20-8-7-18(30(28,29)25-9-5-4-6-10-25)15-19(20)22-21(26)16-23-11-13-24(14-12-23)17(2)27/h7-8,15H,3-6,9-14,16H2,1-2H3