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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O3S2/c25-21(23-13-10-17-6-2-3-7-18(17)15-23)16-28-20-9-8-19(14-22-20)29(26,27)24-11-4-1-5-12-24/h2-3,6-9,14H,1,4-5,10-13,15-16H2