N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H27ClN5O3S+ MolecularWeight: 489.01018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H26ClN5O3S/c1-18-7-9-20(10-8-18)33(31,32)29-13-11-27(12-14-29)17-22(30)25-23-21(24)16-28(26-23)15-19-5-3-2-4-6-19/h2-10,16H,11-15,17H2,1H3,(H,25,26,30)/p+1