(5-ethanoyl-2-ethoxy-phenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-3-29-22-11-10-18(17(2)25)14-20(22)16-30-23(26)19-8-7-9-21(15-19)31(27,28)24-12-5-4-6-13-24/h7-11,14-15H,3-6,12-13,16H2,1-2H3