N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-1-butanesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]butane-1-sulfonamide Formula: C14H18BrN3O2S MolecularWeight: 372.28062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=NN(C=C1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCS(=O)(=O)NC1=NN(C=C1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN3O2S/c1-2-3-10-21(19,20)17-14-8-9-18(16-14)11-12-4-6-13(15)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,16,17)