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

Systemtic Name: 4-chloranyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-chloro-N-[(3-fluoro-4-methoxy-phenyl)methyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-chloro-N-(3-fluoro-4-methoxy-benzyl)-3-nitro-N-phenyl-benzenesulfonamide Formula: C20H16ClFN2O5S MolecularWeight: 450.867843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C20H16ClFN2O5S/c1-29-20-10-7-14(11-18(20)22)13-23(15-5-3-2-4-6-15)30(27,28)16-8-9-17(21)19(12-16)24(25)26/h2-12H,13H2,1H3