[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H18F6N2O5S MolecularWeight: 524.433439

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H18F6N2O5S/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-18(30)12-34-19(31)13-3-5-17(6-4-13)35(32,33)29-7-1-2-8-29/h3-6,9-11H,1-2,7-8,12H2,(H,28,30)