3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-(4-tosylpiperazino)propionic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-11-2-4-12(5-3-11)22(20,21)16-8-6-15(7-9-16)13(17)10-14(18)19/h2-5H,6-10H2,1H3,(H,18,19)