[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S/c1-11(2)18-15(20)10-24-16(21)13-9-12(5-6-14(13)17)25(22,23)19-7-3-4-8-19/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,20)