[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C21H32N2O5S/c1-20(2,3)15-21(4,5)22-18(24)14-28-19(25)16-9-8-10-17(13-16)29(26,27)23-11-6-7-12-23/h8-10,13H,6-7,11-12,14-15H2,1-5H3,(H,22,24)