(2-methoxy-5-methyl-phenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-15-4-7-19(26-3)18(12-15)14-28-21(23)17-6-5-16(2)20(13-17)29(24,25)22-8-10-27-11-9-22/h4-7,12-13H,8-11,14H2,1-3H3