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

Systemtic Name: 3-tert-butyl-N-(4-hydroxyphenyl)-N-methyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(4-hydroxyphenyl)-N-methyl-pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(4-hydroxyphenyl)-N-methyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(4-hydroxyphenyl)-N-methyl-pyrazole-4-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N(C)C2=CC=C(C=C2)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N(C)C2=CC=C(C=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)20-19(15-24(22-20)14-16-8-6-5-7-9-16)28(26,27)23(4)17-10-12-18(25)13-11-17/h5-13,15,25H,14H2,1-4H3