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

Systemtic Name: butyl 4-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-2-3-15-31-23(28)18-7-9-19(10-8-18)25-21(27)17-32-22-12-11-20(16-24-22)33(29,30)26-13-5-4-6-14-26/h7-12,16H,2-6,13-15,17H2,1H3,(H,25,27)