ethyl 1-[2-chloranyl-5-[(4-methylsulfonylphenyl)sulfamoyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-chloranyl-5-[(4-methylsulfonylphenyl)sulfamoyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-chloro-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-[(4-methylsulfonylphenyl)sulfamoyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-chloro-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-[(4-mesylphenyl)sulfamoyl]benzoyl]isonipecotic acid ethyl ester Formula: C22H25ClN2O7S2 MolecularWeight: 529.0261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H25ClN2O7S2/c1-3-32-22(27)15-10-12-25(13-11-15)21(26)19-14-18(8-9-20(19)23)34(30,31)24-16-4-6-17(7-5-16)33(2,28)29/h4-9,14-15,24H,3,10-13H2,1-2H3