[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C18H27N3O6S/c1-12(17(24)20-18(3,4)5)27-16(23)11-21(6)28(25,26)15-9-7-14(8-10-15)19-13(2)22/h7-10,12H,11H2,1-6H3,(H,19,22)(H,20,24)/t12-/m0/s1