(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H22ClNO8S MolecularWeight: 483.91928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H22ClNO8S/c1-27-18-3-2-15(32(25,26)23-4-6-28-7-5-23)12-16(18)21(24)31-13-14-10-17(22)20-19(11-14)29-8-9-30-20/h2-3,10-12H,4-9,13H2,1H3