(3,4-dimethylphenyl) 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid (3,4-dimethylphenyl) ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

InChI

InChI=1S/C19H20ClNO5S/c1-13-3-4-15(11-14(13)2)26-19(22)17-12-16(5-6-18(17)20)27(23,24)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3