N-(4-chloranyl-3-oxidanylidene-butan-2-yl)-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-(4-chloranyl-3-oxidanylidene-butan-2-yl)-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-(3-chloro-1-methyl-2-oxo-propyl)-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-(4-chloro-3-oxobutan-2-yl)-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-(4-chloro-3-oxobutan-2-yl)-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-(3-chloro-2-keto-1-methyl-propyl)-N-methyl-4-nitro-benzenesulfonamide Formula: C11H13ClN2O5S MolecularWeight: 320.74932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCl)N(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)CCl)N(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13ClN2O5S/c1-8(11(15)7-12)13(2)20(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,8H,7H2,1-2H3