[3-(ethoxycarbonylamino)phenyl] 2-chloranyl-5-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 2-chloranyl-5-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 2-chloro-5-(trifluoromethyl)benzenesulfonate CAS Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 2-chloro-5-(trifluoromethyl)benzenesulfonate Traditional Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C16H13ClF3NO5S MolecularWeight: 423.79133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3NO5S/c1-2-25-15(22)21-11-4-3-5-12(9-11)26-27(23,24)14-8-10(16(18,19)20)6-7-13(14)17/h3-9H,2H2,1H3,(H,21,22)