3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid

Systemtic Name: 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid Openeye Name: 3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropanoic acid CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid Traditional Name: 3-[4-(m-tolyl)piperazino]sulfonylpropionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-12-3-2-4-13(11-12)15-6-8-16(9-7-15)21(19,20)10-5-14(17)18/h2-4,11H,5-10H2,1H3,(H,17,18)