2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C16H21N6O5S+ MolecularWeight: 409.44014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O5S/c1-19-11-15(10-17-19)28(26,27)21-7-5-20(6-8-21)12-16(23)18-13-3-2-4-14(9-13)22(24)25/h2-4,9-11H,5-8,12H2,1H3,(H,18,23)/p+1