N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethyl-3-methyl-4-pyrazolesulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethyl-3-methylpyrazole-4-sulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide Formula: C26H43N3O3S MolecularWeight: 477.70292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CN(N=C2C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CN(N=C2C)CC)C(C)(C)CC

InChI

InChI=1S/C26H43N3O3S/c1-9-25(5,6)21-14-15-23(22(18-21)26(7,8)10-2)32-17-13-12-16-27-33(30,31)24-19-29(11-3)28-20(24)4/h14-15,18-19,27H,9-13,16-17H2,1-8H3