N-(4-ethylsulfonylphenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(4-ethylsulfonylphenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(4-ethylsulfonylphenyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(4-esylphenyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C21H22N4O4S2/c1-3-31(28,29)18-10-8-17(9-11-18)24-20(27)15-4-6-16(7-5-15)23-19(26)14-30-21-22-12-13-25(21)2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)