3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]propanoate

Systemtic Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]propanoate Openeye Name: 3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]propanoate CAS Name: 3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]propanoate IUPAC Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]propanoate Traditional Name: 3-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]propionate Formula: C15H20NO4S- MolecularWeight: 310.3886

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

C[C@H]1CCCN(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)/p-1/t12-/m0/s1