[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22ClNO5S/c1-15-8-9-17(13-20(15)29(26,27)23-10-3-2-4-11-23)21(25)28-14-19(24)16-6-5-7-18(22)12-16/h5-9,12-13H,2-4,10-11,14H2,1H3