[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H27NO5S/c1-23(2,3)19-11-9-17(10-12-19)21(25)16-29-22(26)18-7-6-8-20(15-18)30(27,28)24-13-4-5-14-24/h6-12,15H,4-5,13-14,16H2,1-3H3