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

Systemtic Name: methyl 4-chloranyl-3-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[4-(1-piperidylsulfonyl)phenyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(4-piperidinosulfonylphenyl)acetyl]amino]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-7-10-18(22)19(14-16)23-20(25)13-15-5-8-17(9-6-15)30(27,28)24-11-3-2-4-12-24/h5-10,14H,2-4,11-13H2,1H3,(H,23,25)