N-tert-butyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O4S/c1-18(2,3)21-27(25,26)15-8-9-16(17(12-15)22(23)24)20-11-10-13-4-6-14(19)7-5-13/h4-9,12,20-21H,10-11H2,1-3H3