[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(1R)-2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H18ClNO5S2/c1-11(16(20)19-8-7-12-4-3-9-25-12)24-17(21)14-10-13(26(2,22)23)5-6-15(14)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/t11-/m1/s1