N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-morpholino-2-(m-tolyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-(3-methylphenyl)-2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-morpholino-2-(m-tolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)N4CCOCC4

InChI

InChI=1S/C21H26N2O5S/c1-16-3-2-4-17(13-16)19(23-7-9-26-10-8-23)15-22-29(24,25)18-5-6-20-21(14-18)28-12-11-27-20/h2-6,13-14,19,22H,7-12,15H2,1H3/t19-/m0/s1