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

Systemtic Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C17H23N6O5S+ MolecularWeight: 423.46672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O5S/c1-13-16(11-18-20(13)2)29(27,28)22-8-6-21(7-9-22)12-17(24)19-14-4-3-5-15(10-14)23(25)26/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,24)/p+1