[3-(trifluoromethyl)phenyl] 2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [3-(trifluoromethyl)phenyl] 2-[(4-bromophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-bromophenyl)sulfonyl-methylamino]acetic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-[(4-bromophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[brosyl(methyl)amino]acetic acid [3-(trifluoromethyl)phenyl] ester Formula: C16H13BrF3NO4S MolecularWeight: 452.24293

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CC(=O)OC1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrF3NO4S/c1-21(26(23,24)14-7-5-12(17)6-8-14)10-15(22)25-13-4-2-3-11(9-13)16(18,19)20/h2-9H,10H2,1H3