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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-16-11-12-18(15-19(16)30(26,27)23-13-7-4-8-14-23)21(24)29-20(22(25)28-2)17-9-5-3-6-10-17/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3