3-tert-butyl-N-(4-ethanoylphenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-(4-ethanoylphenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: N-(4-acetylphenyl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide CAS Name: N-(4-acetylphenyl)-3-tert-butyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: N-(4-acetylphenyl)-1-benzyl-3-tert-butylpyrazole-4-sulfonamide Traditional Name: N-(4-acetylphenyl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-16(26)18-10-12-19(13-11-18)24-29(27,28)20-15-25(23-21(20)22(2,3)4)14-17-8-6-5-7-9-17/h5-13,15,24H,14H2,1-4H3