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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C15H21NO4S/c1-12-3-2-10-16(11-12)21(19,20)14-7-4-13(5-8-14)6-9-15(17)18/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,17,18)