4-tert-butyl-N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]benzenesulfonamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-20(2,3)16-7-9-19(10-8-16)27(25,26)23-18-6-4-5-15(11-18)13-24-14-17(21)12-22-24/h4-12,14,23H,13H2,1-3H3