3-[3-(4-methylsulfonylphenyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole

Systemtic Name: 3-[3-(4-methylsulfonylphenyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Openeye Name: 3-[3-(4-methylsulfonylphenyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole CAS Name: 3-[3-(4-methylsulfonylphenyl)phenyl]-1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]pyrazole IUPAC Name: 3-[3-(4-methylsulfonylphenyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Traditional Name: 3-[3-(4-mesylphenyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C21H23N3O2S/c1-27(25,26)20-7-5-17(6-8-20)18-3-2-4-19(13-18)21-10-12-24(23-21)15-16-9-11-22-14-16/h2-8,10,12-13,16,22H,9,11,14-15H2,1H3/p+1/t16-/m0/s1