[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)C

InChI

InChI=1S/C23H27NO5S/c1-15-12-17(3)21(13-16(15)2)22(25)18(4)29-23(26)19-8-7-9-20(14-19)30(27,28)24-10-5-6-11-24/h7-9,12-14,18H,5-6,10-11H2,1-4H3