3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]propanoate

Systemtic Name: 3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]propanoate Openeye Name: 3-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]propanoate CAS Name: 3-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]propanoate IUPAC Name: 3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]propanoate Traditional Name: 3-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]propionate Formula: C15H20NO4S- MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1S(=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)/p-1/t12-/m0/s1