N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-isobutyl-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-4-isobutyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-15(2)13-16-5-9-19(10-6-16)27(25,26)23-20-11-12-24(22-20)14-17-3-7-18(21)8-4-17/h3-12,15H,13-14H2,1-2H3,(H,22,23)