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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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