[2-oxidanylidene-2-(4-propylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-3-6-17-7-9-18(10-8-17)20(25)16-30-23(26)19-11-12-21(29-2)22(15-19)31(27,28)24-13-4-5-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3