dimethyl-[3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]amino]propyl]ammonium Formula: C17H28N5O5S+ MolecularWeight: 414.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C17H27N5O5S/c1-14-5-6-15(22(24)25)13-16(14)28(26,27)21-11-9-20(10-12-21)17(23)18-7-4-8-19(2)3/h5-6,13H,4,7-12H2,1-3H3,(H,18,23)/p+1