methyl 2-[[1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(5-chloro-2-ethoxy-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(5-chloro-2-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(5-chloro-2-ethoxy-phenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-3-31-19-9-8-16(23)14-20(19)32(28,29)25-12-10-15(11-13-25)21(26)24-18-7-5-4-6-17(18)22(27)30-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,26)