1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C25H30N4O3S2/c1-2-28-23-13-12-20(34(31,32)27-14-6-3-7-15-27)17-21(23)26-25(28)33-18-24(30)29-16-8-10-19-9-4-5-11-22(19)29/h4-5,9,11-13,17H,2-3,6-8,10,14-16,18H2,1H3