N-tert-butyl-4-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(2-fluorophenoxy)ethyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[2-(2-fluorophenoxy)ethyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Formula: C19H24FN3O5S MolecularWeight: 425.474363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CCOC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CCOC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C19H24FN3O5S/c1-19(2,3)21-29(26,27)14-9-10-16(17(13-14)23(24)25)22(4)11-12-28-18-8-6-5-7-15(18)20/h5-10,13,21H,11-12H2,1-4H3