(4-propanoylphenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-propanoylphenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-propanoylphenyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-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=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

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

InChI

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