N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]ethanesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]ethanesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]ethanesulfonamide Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=NN(C=C1Br)CC2=CC=C(C=C2)C

Isomeric SMILES

CCS(=O)(=O)NC1=NN(C=C1Br)CC2=CC=C(C=C2)C

InChI

InChI=1S/C13H16BrN3O2S/c1-3-20(18,19)16-13-12(14)9-17(15-13)8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16)