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

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S/c1-15-9-10-18(14-20(15)30(27,28)24-11-4-3-5-12-24)22(26)29-16(2)21(25)17-7-6-8-19(23)13-17/h6-10,13-14,16H,3-5,11-12H2,1-2H3