propan-2-yl 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfonylethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfonylethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-(2-anilino-2-oxo-ethyl)sulfonylacetyl]amino]benzoate CAS Name: 3-[[2-(2-anilino-2-oxoethyl)sulfonyl-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-anilino-2-oxoethyl)sulfonylacetyl]amino]benzoate Traditional Name: 3-[[2-(2-anilino-2-keto-ethyl)sulfonylacetyl]amino]benzoic acid isopropyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)(=O)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)(=O)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6S/c1-14(2)28-20(25)15-7-6-10-17(11-15)22-19(24)13-29(26,27)12-18(23)21-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)