[2-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyethyl] ester IUPAC Name: [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-ethyl] ester Formula: C16H15ClF3NO4S MolecularWeight: 409.80781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC(=C(C(=C2)Cl)N)C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC(=C(C(=C2)Cl)N)C(F)(F)F)O

InChI

InChI=1S/C16H15ClF3NO4S/c1-9-2-4-11(5-3-9)26(23,24)25-8-14(22)10-6-12(16(18,19)20)15(21)13(17)7-10/h2-7,14,22H,8,21H2,1H3