dimethyl 5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O7S/c1-31-21(27)14-10-15(22(28)32-2)12-16(11-14)24-20(26)18-13-17(6-7-19(18)23)33(29,30)25-8-4-3-5-9-25/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,24,26)