[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C16H21ClN2O5S/c1-11(15(20)18(2)3)24-16(21)13-10-12(6-7-14(13)17)25(22,23)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3/t11-/m1/s1