(4-ethanoylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-ethanoylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-acetylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-acetylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO5S/c1-15-6-7-18(14-20(15)28(25,26)22-12-4-3-5-13-22)21(24)27-19-10-8-17(9-11-19)16(2)23/h6-11,14H,3-5,12-13H2,1-2H3