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

Systemtic Name: 4-bromanyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methyl-benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-bromo-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-methylbenzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-bromo-3-methylbenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-bromo-3-methyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)Br

InChI

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