2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C19H28N5O5S+ MolecularWeight: 438.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H27N5O5S/c1-13-19(14(2)22-21-13)20-18(25)12-23-7-9-24(10-8-23)30(26,27)15-5-6-16(28-3)17(11-15)29-4/h5-6,11H,7-10,12H2,1-4H3,(H,20,25)(H,21,22)/p+1