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

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O5S/c1-18-14-6-5-12(9-15(14)20(21)22)26(23,24)19(2)10-11-4-7-16(25-3)13(17)8-11/h4-9,18H,10H2,1-3H3