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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethyl-pyrazole-4-sulfonamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-ethyl-pyrazole-4-sulfonamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethyl-4-pyrazolesulfonamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-ethylpyrazole-4-sulfonamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1-ethyl-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=CN(N=C2)CC)C(C)(C)CC

Isomeric SMILES

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

InChI

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