(3-methoxycarbonylphenyl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid (3-carbomethoxybenzyl) ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H20ClNO7S/c1-27-19(23)15-4-2-3-14(11-15)13-29-20(24)16-5-6-17(21)18(12-16)30(25,26)22-7-9-28-10-8-22/h2-6,11-12H,7-10,13H2,1H3