N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-isopropyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-isopropyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)C(C)C)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-14(2)17-8-10-18(11-9-17)27(25,26)23-20-19(21)13-24(22-20)12-16-6-4-15(3)5-7-16/h4-11,13-14H,12H2,1-3H3,(H,22,23)