(3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H26ClNO7S MolecularWeight: 483.96234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C22H26ClNO7S/c1-15(2)31-21-19(23)12-17(13-20(21)28-3)22(25)30-14-16-5-4-6-18(11-16)32(26,27)24-7-9-29-10-8-24/h4-6,11-13,15H,7-10,14H2,1-3H3