dimethyl-[2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(2-nitrophenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(2-nitrophenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-(2-nitrophenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl]ammonium Formula: C15H24N5O4S2+ MolecularWeight: 402.51216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H23N5O4S2/c1-17(2)8-7-16-15(25)18-9-11-19(12-10-18)26(23,24)14-6-4-3-5-13(14)20(21)22/h3-6H,7-12H2,1-2H3,(H,16,25)/p+1