[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO6S/c1-15-6-7-17(13-21(15)31(27,28)24-10-4-3-5-11-24)22(26)30-14-19(25)16-8-9-20(29-2)18(23)12-16/h6-9,12-13H,3-5,10-11,14H2,1-2H3