[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H27N3O6S/c1-14(19(26)23-20(27)24-21(2,3)4)30-18(25)11-12-22-31(28,29)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13-14,22H,11-12H2,1-4H3,(H2,23,24,26,27)