3-chloranyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-(3-fluoro-4-methoxy-benzyl)-N,4-dimethyl-5-nitro-benzenesulfonamide Formula: C16H16ClFN2O5S MolecularWeight: 402.825043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=CC(=C(C=C2)OC)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=CC(=C(C=C2)OC)F)Cl

InChI

InChI=1S/C16H16ClFN2O5S/c1-10-13(17)7-12(8-15(10)20(21)22)26(23,24)19(2)9-11-4-5-16(25-3)14(18)6-11/h4-8H,9H2,1-3H3