N-[(3-fluorophenyl)methyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(3-fluorophenyl)methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(3-fluorobenzyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C14H13FN2O4S MolecularWeight: 324.327423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13FN2O4S/c1-10-5-6-13(8-14(10)17(18)19)22(20,21)16-9-11-3-2-4-12(15)7-11/h2-8,16H,9H2,1H3