[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C18H27N3O6S/c1-12-9-7-8-10-14(12)21(28(6,25)26)11-15(22)27-13(2)16(23)19-17(24)20-18(3,4)5/h7-10,13H,11H2,1-6H3,(H2,19,20,23,24)/t13-/m1/s1