1-(1H-indol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1H-indol-3-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O3S2/c24-19(17-13-21-18-7-3-2-6-16(17)18)14-27-20-9-8-15(12-22-20)28(25,26)23-10-4-1-5-11-23/h2-3,6-9,12-13,21H,1,4-5,10-11,14H2