[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C17H25N3O6S/c1-12-5-7-13(8-6-12)27(24,25)18-10-9-15(22)26-11-14(21)19-16(23)20-17(2,3)4/h5-8,18H,9-11H2,1-4H3,(H2,19,20,21,23)