3-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylpropanoic acid

Systemtic Name: 3-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylpropanoic acid Openeye Name: 3-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylpropanoic acid CAS Name: 3-[(4-methyl-2-phenyl-1-piperazinyl)sulfonyl]propanoic acid IUPAC Name: 3-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid Traditional Name: 3-(4-methyl-2-phenyl-piperazino)sulfonylpropionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)CCC(=O)O

InChI

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