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

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C24H28N2O6S/c1-18(27)25-14-4-5-19-6-8-20(9-7-19)23(28)17-32-24(29)21-10-12-22(13-11-21)33(30,31)26-15-2-3-16-26/h6-13H,2-5,14-17H2,1H3,(H,25,27)