3-chloranyl-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-4-methyl-5-nitro-benzenesulfonamide Formula: C17H18ClFN2O5S MolecularWeight: 416.851623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2O5S/c1-4-20(10-12-5-6-17(26-3)15(19)7-12)27(24,25)13-8-14(18)11(2)16(9-13)21(22)23/h5-9H,4,10H2,1-3H3