N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-2-nitro-benzenesulfonamide Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C26H38N2O5S/c1-7-25(3,4)20-15-16-23(21(19-20)26(5,6)8-2)33-18-12-11-17-27-34(31,32)24-14-10-9-13-22(24)28(29)30/h9-10,13-16,19,27H,7-8,11-12,17-18H2,1-6H3