(4-ethanoylphenyl) 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (4-ethanoylphenyl) 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (4-acetylphenyl) 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (4-acetylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H23NO5S/c1-15-6-3-4-13-22(15)28(25,26)20-8-5-7-18(14-20)21(24)27-19-11-9-17(10-12-19)16(2)23/h5,7-12,14-15H,3-4,6,13H2,1-2H3/t15-/m0/s1