dimethyl 5-[4-(5-chloranyl-1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(5-chloranyl-1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(5-chloro-1,3-benzoxazol-2-yl)-1-piperidyl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(5-chloro-1,3-benzoxazol-2-yl)-1-piperidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H21ClN2O7S/c1-30-21(26)14-9-15(22(27)31-2)11-17(10-14)33(28,29)25-7-5-13(6-8-25)20-24-18-12-16(23)3-4-19(18)32-20/h3-4,9-13H,5-8H2,1-2H3