(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)Cl

InChI

InChI=1S/C16H14ClNO5S/c1-24(21,22)13-9-11(7-8-12(13)17)16(20)23-14(15(18)19)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,18,19)