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

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25NO5S/c1-2-6-17-9-11-18(12-10-17)21(24)16-28-22(25)19-7-5-8-20(15-19)29(26,27)23-13-3-4-14-23/h5,7-12,15H,2-4,6,13-14,16H2,1H3