(5-ethanoyl-2-methoxy-phenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO6S/c1-16(24)18-8-11-21(28-2)19(14-18)15-29-22(25)17-6-9-20(10-7-17)30(26,27)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3