methyl 4-methyl-3-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O5S2/c1-15-6-7-16(21(26)29-2)12-18(15)23-19(25)14-30-20-9-8-17(13-22-20)31(27,28)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)