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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C27H40N2O6S MolecularWeight: 520.6813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O6S/c1-8-26(3,4)20-12-14-24(22(18-20)27(5,6)9-2)35-17-11-10-16-28-36(32,33)21-13-15-25(34-7)23(19-21)29(30)31/h12-15,18-19,28H,8-11,16-17H2,1-7H3