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

Systemtic Name: methyl 4-chloranyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Traditional Name: 4-chloro-3-[3-(4-piperidinosulfonylphenyl)propanoylamino]benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-30-22(27)17-8-11-19(23)20(15-17)24-21(26)12-7-16-5-9-18(10-6-16)31(28,29)25-13-3-2-4-14-25/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,24,26)