(2-chloranyl-4-morpholin-4-ylsulfonyl-phenyl) 2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-morpholin-4-ylsulfonyl-phenyl) 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: (2-chloro-4-morpholinosulfonyl-phenyl) 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonic acid [2-chloro-4-(4-morpholinylsulfonyl)phenyl] ester IUPAC Name: (2-chloro-4-morpholin-4-ylsulfonylphenyl) 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbenzenesulfonic acid (2-chloro-4-morpholinosulfonyl-phenyl) ester Formula: C20H24ClNO6S2 MolecularWeight: 473.99066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl)C)C

InChI

InChI=1S/C20H24ClNO6S2/c1-13-11-14(2)16(4)20(15(13)3)30(25,26)28-19-6-5-17(12-18(19)21)29(23,24)22-7-9-27-10-8-22/h5-6,11-12H,7-10H2,1-4H3