(4-propanoylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-propanoylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-propanoylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-propionylphenyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-3-20(24)17-9-11-19(12-10-17)28-22(25)18-8-7-16(2)21(15-18)29(26,27)23-13-5-4-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3