(4-propanoylphenyl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-propanoylphenyl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-propanoylphenyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (4-propionylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-2-20(23)16-9-11-18(12-10-16)27-21(24)17-7-6-8-19(15-17)28(25,26)22-13-4-3-5-14-22/h6-12,15H,2-5,13-14H2,1H3