methyl 4-[[[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]methyl]benzoate Traditional Name: 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C17H15ClF3NO4S MolecularWeight: 421.81851

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C17H15ClF3NO4S/c1-22(10-11-3-5-12(6-4-11)16(23)26-2)27(24,25)15-9-13(17(19,20)21)7-8-14(15)18/h3-9H,10H2,1-2H3