(3-morpholin-4-ylsulfonylphenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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