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

Systemtic Name: methyl 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: methyl 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]propanoic acid methyl ester IUPAC Name: methyl 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]propionic acid methyl ester Formula: C15H22N3O6S+ MolecularWeight: 372.41668

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6S/c1-12-3-4-13(18(20)21)11-14(12)25(22,23)17-9-7-16(8-10-17)6-5-15(19)24-2/h3-4,11H,5-10H2,1-2H3/p+1