N-tert-butyl-3-nitro-4-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 4-benzylsulfanyl-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-(phenylmethylthio)benzenesulfonamide IUPAC Name: 4-benzylsulfanyl-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylthio)-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S2/c1-17(2,3)18-25(22,23)14-9-10-16(15(11-14)19(20)21)24-12-13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3