[3-(trifluoromethyl)phenyl] 4-(2-azanylethanoylamino)benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-(2-azanylethanoylamino)benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-[(2-aminoacetyl)amino]benzenesulfonate CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-[(2-aminoacetyl)amino]benzenesulfonate Traditional Name: 4-(glycylamino)benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C15H13F3N2O4S MolecularWeight: 374.33493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O4S/c16-15(17,18)10-2-1-3-12(8-10)24-25(22,23)13-6-4-11(5-7-13)20-14(21)9-19/h1-8H,9,19H2,(H,20,21)