4-[(2-chlorophenyl)methylamino]-3-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-benzoate

Systemtic Name: 4-[(2-chlorophenyl)methylamino]-3-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-benzoate Openeye Name: 4-[(2-chlorophenyl)methylamino]-3-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-[3-(trifluoromethyl)phenyl]azanidylsulfonylbenzoate IUPAC Name: 4-[(2-chlorophenyl)methylamino]-3-[3-(trifluoromethyl)phenyl]azanidylsulfonylbenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-benzoate Formula: C21H14ClF3N2O4S-2 MolecularWeight: 482.86007

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)C(=O)[O-])S(=O)(=O)[N-]C3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)C(=O)[O-])S(=O)(=O)[N-]C3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H15ClF3N2O4S/c22-17-7-2-1-4-14(17)12-26-18-9-8-13(20(28)29)10-19(18)32(30,31)27-16-6-3-5-15(11-16)21(23,24)25/h1-11,26H,12H2,(H,28,29)/q-1/p-1