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

Systemtic Name: 3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid Openeye Name: 3-[3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid Traditional Name: 3-[3-(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=CC(=C2)CCC(=O)O

Isomeric SMILES

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

InChI

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