(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H18ClNO7S/c20-16-9-13(10-17-18(16)28-12-27-17)11-26-19(22)14-1-3-15(4-2-14)29(23,24)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11-12H2