1-(2,5-diethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-diethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-diethylphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-3-16-7-8-17(4-2)19(13-16)20(24)15-27-21-10-9-18(14-22-21)28(25,26)23-11-5-6-12-23/h7-10,13-14H,3-6,11-12,15H2,1-2H3