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

Systemtic Name: 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-thiophen-2-yl-ethanone Openeye Name: 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-1-(2-thienyl)ethanone CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-1-(2-thienyl)ethanone Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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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=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S3/c1-2-23-17-9-8-15(29(25,26)22-10-4-3-5-11-22)13-16(17)21-20(23)28-14-18(24)19-7-6-12-27-19/h6-9,12-13H,2-5,10-11,14H2,1H3