(3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C21H24ClNO7S/c1-3-29-20-18(22)12-16(13-19(20)27-2)21(24)30-14-15-5-4-6-17(11-15)31(25,26)23-7-9-28-10-8-23/h4-6,11-13H,3,7-10,14H2,1-2H3