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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-benzyl-4-chloro-pyrazol-3-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-benzyl-4-chloropyrazol-3-yl)acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C22H25ClN5O3S+ MolecularWeight: 474.9836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5O3S/c23-20-16-27(15-18-7-3-1-4-8-18)25-22(20)24-21(29)17-26-11-13-28(14-12-26)32(30,31)19-9-5-2-6-10-19/h1-10,16H,11-15,17H2,(H,24,25,29)/p+1