N-tert-butyl-4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(4-methoxyphenoxy)ethylthio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[2-(4-methoxyphenoxy)ethylthio]-3-nitro-benzenesulfonamide Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCCOC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCCOC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O6S2/c1-19(2,3)20-29(24,25)16-9-10-18(17(13-16)21(22)23)28-12-11-27-15-7-5-14(26-4)6-8-15/h5-10,13,20H,11-12H2,1-4H3