methyl 4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O4S2/c1-25-19(22)16-7-5-15(6-8-16)14-26-18-10-9-17(13-20-18)27(23,24)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,14H2,1H3