2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C15H19N4O5S+ MolecularWeight: 367.40016

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-2-7-16-15(20)12-17-8-10-18(11-9-17)25(23,24)14-6-4-3-5-13(14)19(21)22/h1,3-6H,7-12H2,(H,16,20)/p+1