[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN2O5S/c1-23(2,3)16-10-12-17(13-11-16)25-21(27)15-31-22(28)19-8-6-14-26(19)32(29,30)20-9-5-4-7-18(20)24/h4-5,7,9-13,19H,6,8,14-15H2,1-3H3,(H,25,27)/t19-/m0/s1