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

Systemtic Name: 3-tert-butyl-N-(3-chloranyl-4-methyl-phenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(3-chloro-4-methyl-phenyl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(3-chloro-4-methylphenyl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(3-chloro-4-methylphenyl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(3-chloro-4-methyl-phenyl)pyrazole-4-sulfonamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-15-10-11-17(12-18(15)22)24-28(26,27)19-14-25(23-20(19)21(2,3)4)13-16-8-6-5-7-9-16/h5-12,14,24H,13H2,1-4H3