3-[4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(4-isobutyrylpiperazino)sulfonylphenyl]propionic acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C17H24N2O5S/c1-13(2)17(22)18-9-11-19(12-10-18)25(23,24)15-6-3-14(4-7-15)5-8-16(20)21/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,20,21)