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

Systemtic Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-p-phenetyl-acetamide Formula: C19H28N5O4S+ MolecularWeight: 422.52172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(N(N=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(N(N=C3)C)C

InChI

InChI=1S/C19H27N5O4S/c1-4-28-17-7-5-16(6-8-17)21-19(25)14-23-9-11-24(12-10-23)29(26,27)18-13-20-22(3)15(18)2/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,25)/p+1