3-tert-butyl-N-(5-chloranyl-2-oxidanyl-phenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-(5-chloranyl-2-oxidanyl-phenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(5-chloro-2-hydroxy-phenyl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(5-chloro-2-hydroxyphenyl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(5-chloro-2-hydroxy-phenyl)pyrazole-4-sulfonamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O3S/c1-20(2,3)19-18(13-24(22-19)12-14-7-5-4-6-8-14)28(26,27)23-16-11-15(21)9-10-17(16)25/h4-11,13,23,25H,12H2,1-3H3