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

Systemtic Name: methyl 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Openeye Name: methyl 2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 2-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-piperidinosulfonylphenyl)propanoylamino]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-29-22(26)19-7-3-4-8-20(19)23-21(25)14-11-17-9-12-18(13-10-17)30(27,28)24-15-5-2-6-16-24/h3-4,7-10,12-13H,2,5-6,11,14-16H2,1H3,(H,23,25)