4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethoxy]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethoxy]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethoxy]butanoate CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethoxy]-4-oxobutanoate IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethoxy]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(4-tosylpiperazin-1-ium-1-yl)ethoxy]butyrate Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6S/c1-14-2-4-15(5-3-14)26(23,24)19-10-8-18(9-11-19)12-13-25-17(22)7-6-16(20)21/h2-5H,6-13H2,1H3,(H,20,21)