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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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