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

Systemtic Name: N-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(2,4-ditert-amylphenoxy)butyl]-3-nitro-benzenesulfonamide Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(CNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C26H38N2O5S/c1-8-21(18-27-34(31,32)22-13-11-12-20(17-22)28(29)30)33-24-15-14-19(25(4,5)9-2)16-23(24)26(6,7)10-3/h11-17,21,27H,8-10,18H2,1-7H3