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

Systemtic Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Openeye Name: methyl 3-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 3-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Traditional Name: 3-[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=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-29-22(26)18-6-5-7-19(16-18)23-21(25)13-10-17-8-11-20(12-9-17)30(27,28)24-14-3-2-4-15-24/h5-9,11-12,16H,2-4,10,13-15H2,1H3,(H,23,25)