methyl 2-methoxy-5-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[3-(4-piperidinosulfonylphenyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C24H30N2O6S/c1-31-22-12-8-19(16-21(22)24(28)32-2)17-25-23(27)13-9-18-6-10-20(11-7-18)33(29,30)26-14-4-3-5-15-26/h6-8,10-12,16H,3-5,9,13-15,17H2,1-2H3,(H,25,27)