dimethyl 5-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(3S)-1-(4-chlorophenyl)sulfonylnipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H23ClN2O7S/c1-31-21(27)15-10-16(22(28)32-2)12-18(11-15)24-20(26)14-4-3-9-25(13-14)33(29,30)19-7-5-17(23)6-8-19/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,26)/t14-/m0/s1