4-bromanyl-N-[1,3-dimethyl-5-(phenylmethyl)pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[1,3-dimethyl-5-(phenylmethyl)pyrazol-4-yl]benzenesulfonamide Openeye Name: N-(5-benzyl-1,3-dimethyl-pyrazol-4-yl)-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[1,3-dimethyl-5-(phenylmethyl)-4-pyrazolyl]benzenesulfonamide IUPAC Name: N-(5-benzyl-1,3-dimethylpyrazol-4-yl)-4-bromobenzenesulfonamide Traditional Name: N-(5-benzyl-1,3-dimethyl-pyrazol-4-yl)-4-bromo-benzenesulfonamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1NS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1NS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18BrN3O2S/c1-13-18(21-25(23,24)16-10-8-15(19)9-11-16)17(22(2)20-13)12-14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3