4-[(4-bromophenyl)methylsulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-bromophenyl)methylsulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-bromophenyl)methylsulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[(4-bromophenyl)methylthio]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-bromophenyl)methylsulfanyl]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-bromobenzyl)thio]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C17H19BrN2O4S2 MolecularWeight: 459.37776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H19BrN2O4S2/c1-17(2,3)19-26(23,24)14-8-9-16(15(10-14)20(21)22)25-11-12-4-6-13(18)7-5-12/h4-10,19H,11H2,1-3H3