N-(2,5-dimethylpyrazol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H25N5O3S/c1-15-12-17(21(2)20-15)19-18(24)13-22-8-10-23(11-9-22)27(25,26)14-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,19,24)/p+1