N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1,5-dimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1,5-dimethyl-pyrazole-4-sulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1,5-dimethyl-pyrazole-4-sulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1,5-dimethyl-4-pyrazolesulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1,5-dimethylpyrazole-4-sulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1,5-dimethyl-pyrazole-4-sulfonamide Formula: C25H41N3O3S MolecularWeight: 463.67634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O3S/c1-9-24(4,5)20-13-14-22(21(17-20)25(6,7)10-2)31-16-12-11-15-27-32(29,30)23-18-26-28(8)19(23)3/h13-14,17-18,27H,9-12,15-16H2,1-8H3