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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-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)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCC5=CC=CC=C5C4

InChI

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