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

Systemtic Name: (4-propanoylphenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-propanoylphenyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (4-propionylphenyl) ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5S/c1-2-19(24)15-6-9-17(10-7-15)28-21(25)16-8-11-18(22)20(14-16)29(26,27)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3