[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H28ClNO5S MolecularWeight: 478.00082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C24H28ClNO5S/c1-16(22(27)17-7-10-19(11-8-17)24(2,3)4)31-23(28)18-9-12-20(25)21(15-18)32(29,30)26-13-5-6-14-26/h7-12,15-16H,5-6,13-14H2,1-4H3/t16-/m0/s1