3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionate Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCC(=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-11-2-3-12(17(20)21)10-13(11)24(22,23)16-8-6-15(7-9-16)5-4-14(18)19/h2-3,10H,4-9H2,1H3,(H,18,19)