[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-13(18(23)21-12-14-5-4-10-28-14)27-19(24)16-11-15(6-7-17(16)20)29(25,26)22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,21,23)