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

Systemtic Name: methyl 5-chloranyl-2-methoxy-4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Openeye Name: methyl 5-chloro-2-methoxy-4-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 5-chloro-2-methoxy-4-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-methoxy-4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Traditional Name: 5-chloro-2-methoxy-4-[3-(4-piperidinosulfonylphenyl)propanoylamino]benzoic acid methyl ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27ClN2O6S/c1-31-21-15-20(19(24)14-18(21)23(28)32-2)25-22(27)11-8-16-6-9-17(10-7-16)33(29,30)26-12-4-3-5-13-26/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,25,27)