ethyl 4-[[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3-chloro-4-methoxy-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-chloro-4-methoxy-phenyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

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