[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C23H27NO7S/c1-16-21(29-2)13-18(14-22(16)30-3)23(26)31-15-20(25)17-7-9-19(10-8-17)32(27,28)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3