1,3-benzodioxol-5-ylmethyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid piperonyl ester Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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