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

Systemtic Name: (3S)-N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(3-morpholinosulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[3-(4-morpholinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(3-morpholinosulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c22-19(18-13-26-16-6-1-2-7-17(16)27-18)20-14-4-3-5-15(12-14)28(23,24)21-8-10-25-11-9-21/h1-7,12,18H,8-11,13H2,(H,20,22)/t18-/m0/s1