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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C23H26ClNO6S MolecularWeight: 479.97364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO6S/c1-3-30-22-10-7-17(16(2)26)13-18(22)15-31-23(27)20-14-19(8-9-21(20)24)32(28,29)25-11-5-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3