N-(2,3-dimethylphenyl)-2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]amino]acetamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N4O4S2/c1-15-6-5-7-18(16(15)2)24-19(26)13-22-20(27)14-30-21-9-8-17(12-23-21)31(28,29)25-10-3-4-11-25/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,22,27)(H,24,26)