N-tert-butyl-5-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalene-2-sulfonamide

Systemtic Name: N-tert-butyl-5-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalene-2-sulfonamide Openeye Name: N-tert-butyl-5-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-1-hydroxy-naphthalene-2-sulfonamide CAS Name: N-tert-butyl-5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-1-hydroxy-2-naphthalenesulfonamide IUPAC Name: N-tert-butyl-5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-1-hydroxynaphthalene-2-sulfonamide Traditional Name: N-tert-butyl-5-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-1-hydroxy-naphthalene-2-sulfonamide Formula: C20H20FN3O7S2 MolecularWeight: 497.517103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-])O

InChI

InChI=1S/C20H20FN3O7S2/c1-20(2,3)23-33(30,31)18-10-8-13-14(19(18)25)5-4-6-16(13)22-32(28,29)12-7-9-15(21)17(11-12)24(26)27/h4-11,22-23,25H,1-3H3