3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(4-methylpiperidino)sulfonylphenyl]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C15H21NO4S/c1-12-8-10-16(11-9-12)21(19,20)14-5-2-13(3-6-14)4-7-15(17)18/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)