ethyl 4-[4-[4-azanyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-azanyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[4-amino-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[4-amino-2-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-amino-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-amino-2-(trifluoromethyl)phenyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H22F3N3O4S MolecularWeight: 457.46659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3O4S/c1-2-30-19(27)14-3-6-16(7-4-14)31(28,29)26-11-9-25(10-12-26)18-8-5-15(24)13-17(18)20(21,22)23/h3-8,13H,2,9-12,24H2,1H3