2-(2,6-dimethylphenoxy)ethyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO6S/c1-15-4-3-5-16(2)20(15)28-12-13-29-21(24)18-14-17(6-7-19(18)22)30(25,26)23-8-10-27-11-9-23/h3-7,14H,8-13H2,1-2H3