[4-azanyl-1-(4-methylphenyl)-4-oxidanylidene-butan-2-yl] methanesulfonate

Systemtic Name: [4-azanyl-1-(4-methylphenyl)-4-oxidanylidene-butan-2-yl] methanesulfonate Openeye Name: [3-amino-3-oxo-1-(p-tolylmethyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [4-amino-1-(4-methylphenyl)-4-oxobutan-2-yl] ester IUPAC Name: [4-amino-1-(4-methylphenyl)-4-oxobutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-amino-3-keto-1-(4-methylbenzyl)propyl] ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC(=O)N)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC(=O)N)OS(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-9-3-5-10(6-4-9)7-11(8-12(13)14)17-18(2,15)16/h3-6,11H,7-8H2,1-2H3,(H2,13,14)