(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H30ClNO5S MolecularWeight: 480.0167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C)C(C)(C)C

InChI

InChI=1S/C24H30ClNO5S/c1-16-12-18(24(3,4)5)13-17(2)21(16)15-31-23(27)20-14-19(6-7-22(20)25)32(28,29)26-8-10-30-11-9-26/h6-7,12-14H,8-11,15H2,1-5H3