[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC=C)NS(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NCC=C)NS(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C18H26N2O6S/c1-6-11-19-17(21)13(4)26-18(22)16(12(2)3)20-27(23,24)15-9-7-14(25-5)8-10-15/h6-10,12-13,16,20H,1,11H2,2-5H3,(H,19,21)/t13?,16-/m0/s1