ethyl 4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[3-(trifluoromethyl)benzyl]carbamoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H24F3N3O5S MolecularWeight: 499.50327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H24F3N3O5S/c1-2-33-20(29)17-6-8-19(9-7-17)34(31,32)28-12-10-27(11-13-28)21(30)26-15-16-4-3-5-18(14-16)22(23,24)25/h3-9,14H,2,10-13,15H2,1H3,(H,26,30)