(5-ethanoyl-2-ethoxy-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H29NO6S/c1-4-30-22-11-10-19(18(3)26)14-21(22)16-31-24(27)20-9-8-17(2)23(15-20)32(28,29)25-12-6-5-7-13-25/h8-11,14-15H,4-7,12-13,16H2,1-3H3