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

Systemtic Name: 3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(2-methylpiperidino)sulfonylphenyl]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C15H21NO4S/c1-12-4-2-3-11-16(12)21(19,20)14-8-5-13(6-9-14)7-10-15(17)18/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,17,18)