methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyloxymethyl]benzoate Openeye Name: methyl 3-[3-[4-(1-piperidylsulfonyl)phenyl]propanoyloxymethyl]benzoate CAS Name: 3-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyloxymethyl]benzoate Traditional Name: 3-[3-(4-piperidinosulfonylphenyl)propanoyloxymethyl]benzoic acid methyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27NO6S/c1-29-23(26)20-7-5-6-19(16-20)17-30-22(25)13-10-18-8-11-21(12-9-18)31(27,28)24-14-3-2-4-15-24/h5-9,11-12,16H,2-4,10,13-15,17H2,1H3