N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-3-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)20-14-15-24(23(18-20)26(5,6)8-2)33-17-10-9-16-27-34(31,32)22-13-11-12-21(19-22)28(29)30/h11-15,18-19,27H,7-10,16-17H2,1-6H3