(1-azanyl-1-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)N

InChI

InChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(13,14)15-8(2)10(11)12/h3-6,8H,1-2H3,(H2,11,12)