[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16ClNO5S MolecularWeight: 345.79854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C14H16ClNO5S/c1-8(13(17)16-10-4-5-10)21-14(18)9-3-6-11(15)12(7-9)22(2,19)20/h3,6-8,10H,4-5H2,1-2H3,(H,16,17)