[3-(2-bromanylethanoylamino)phenyl] 2-methylpropane-1-sulfonate

Systemtic Name: [3-(2-bromanylethanoylamino)phenyl] 2-methylpropane-1-sulfonate Openeye Name: [3-[(2-bromoacetyl)amino]phenyl] 2-methylpropane-1-sulfonate CAS Name: 2-methyl-1-propanesulfonic acid IUPAC Name: [3-[(2-bromoacetyl)amino]phenyl] 2-methylpropane-1-sulfonate Traditional Name: 2-methylpropane-1-sulfonic acid [3-[(2-bromoacetyl)amino]phenyl] ester Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)OC1=CC=CC(=C1)NC(=O)CBr

Isomeric SMILES

CC(C)CS(=O)(=O)OC1=CC=CC(=C1)NC(=O)CBr

InChI

InChI=1S/C12H16BrNO4S/c1-9(2)8-19(16,17)18-11-5-3-4-10(6-11)14-12(15)7-13/h3-6,9H,7-8H2,1-2H3,(H,14,15)