ethyl 4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-2-28-20(25)15-5-7-16(8-6-15)22-18(24)14-29-19-10-9-17(13-21-19)30(26,27)23-11-3-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)