2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]acetic acid Formula: C15H20N2O5S2 MolecularWeight: 372.4597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC(=O)O

InChI

InChI=1S/C15H20N2O5S2/c1-12-2-4-13(5-3-12)24(21,22)17-8-6-16(7-9-17)14(18)10-23-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)