[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-ethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23NO5S/c1-2-16-5-7-18(8-6-16)21(24)27-15-20(23)17-9-11-19(12-10-17)28(25,26)22-13-3-4-14-22/h5-12H,2-4,13-15H2,1H3