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

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-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] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6S/c1-15-12-17(3)20(13-16(15)2)23(26)18(4)31-24(27)19-8-9-21(30-5)22(14-19)32(28,29)25-10-6-7-11-25/h8-9,12-14,18H,6-7,10-11H2,1-5H3