tert-butyl 4-[4-[(2-ethoxy-2-oxidanylidene-ethyl)sulfonylamino]-2-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-ethoxy-2-oxidanylidene-ethyl)sulfonylamino]-2-(trifluoromethyl)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-ethoxy-2-oxo-ethyl)sulfonylamino]-2-(trifluoromethyl)phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-(trifluoromethyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-(trifluoromethyl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-ethoxy-2-keto-ethyl)sulfonylamino]-2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29F3N2O7S MolecularWeight: 510.52437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)NC1=CC(=C(C=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)CS(=O)(=O)NC1=CC(=C(C=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C21H29F3N2O7S/c1-5-31-18(27)13-34(29,30)25-14-6-7-17(16(12-14)21(22,23)24)32-15-8-10-26(11-9-15)19(28)33-20(2,3)4/h6-7,12,15,25H,5,8-11,13H2,1-4H3