methyl 4-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-methyl-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-benzoic acid methyl ester Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c1-14-6-7-15(19(26)29-2)12-18(14)30(27,28)25-10-8-24(9-11-25)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3