(4-morpholin-4-ylsulfonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (4-morpholinosulfonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-morpholinylsulfonyl)phenyl] ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-morpholinosulfonylphenyl) ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H19NO7S/c21-19(18-13-25-16-3-1-2-4-17(16)27-18)26-14-5-7-15(8-6-14)28(22,23)20-9-11-24-12-10-20/h1-8,18H,9-13H2/t18-/m0/s1