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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(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 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22ClNO7S/c1-14-2-3-16(12-19(14)31(25,26)23-4-6-27-7-5-23)21(24)30-13-15-10-17(22)20-18(11-15)28-8-9-29-20/h2-3,10-12H,4-9,13H2,1H3