methyl 2-[2-(2-chloranyl-4-piperidin-1-ylsulfonyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(2-chloranyl-4-piperidin-1-ylsulfonyl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-chloro-4-(1-piperidylsulfonyl)phenoxy]acetyl]amino]benzoate CAS Name: 2-[[2-[2-chloro-4-(1-piperidinylsulfonyl)phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate Traditional Name: 2-[[2-(2-chloro-4-piperidinosulfonyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-29-21(26)16-7-3-4-8-18(16)23-20(25)14-30-19-10-9-15(13-17(19)22)31(27,28)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,25)