(2-ethanoyl-5-methyl-phenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2-ethanoyl-5-methyl-phenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2-acetyl-5-methyl-phenyl) 4-(1-piperidylsulfonyl)benzenesulfonate CAS Name: 4-(1-piperidinylsulfonyl)benzenesulfonic acid (2-acetyl-5-methylphenyl) ester IUPAC Name: (2-acetyl-5-methylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-piperidinosulfonylbenzenesulfonic acid (2-acetyl-5-methyl-phenyl) ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S2/c1-15-6-11-19(16(2)22)20(14-15)27-29(25,26)18-9-7-17(8-10-18)28(23,24)21-12-4-3-5-13-21/h6-11,14H,3-5,12-13H2,1-2H3