3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]propan-1-one Formula: C22H25BrN4O3S MolecularWeight: 505.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)Br

InChI

InChI=1S/C22H25BrN4O3S/c1-16-22(23)17(2)27(24-16)10-9-21(28)25-11-13-26(14-12-25)31(29,30)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,15H,9-14H2,1-2H3