(3R)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N2O7S/c1-26-16-7-6-14(30(24,25)22-8-10-27-11-9-22)12-15(16)21-20(23)19-13-28-17-4-2-3-5-18(17)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,21,23)/t19-/m1/s1