4-fluoranyl-N-[3-[methyl(phenyl)amino]propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[3-[methyl(phenyl)amino]propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-fluoro-N-[3-(N-methylanilino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-fluoro-N-[3-(N-methylanilino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-fluoro-N-[3-(N-methylanilino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-fluoro-N-[3-(N-methylanilino)propyl]-3-nitro-benzenesulfonamide Formula: C16H18FN3O4S MolecularWeight: 367.395223

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCCNS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H18FN3O4S/c1-19(13-6-3-2-4-7-13)11-5-10-18-25(23,24)14-8-9-15(17)16(12-14)20(21)22/h2-4,6-9,12,18H,5,10-11H2,1H3