[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC(C)(C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC(C)(C)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H27N3O7S/c1-13-5-6-14(11-15(13)30(26,27)22-7-9-28-10-8-22)17(24)29-12-16(23)20-18(25)21-19(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H2,20,21,23,25)