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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-ethylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(4-ethylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-esylpiperazin-1-ium-1-yl)acetamide Formula: C18H25ClN5O3S+ MolecularWeight: 426.9408

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H24ClN5O3S/c1-2-28(26,27)24-10-8-22(9-11-24)14-17(25)20-18-16(19)13-23(21-18)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,20,21,25)/p+1