1-(4-ethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-ethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

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