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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(p-tolylsulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(4-methylphenyl)sulfonylethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-(2-furyl)-2-tosyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H21NO7S2 MolecularWeight: 463.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4

InChI

InChI=1S/C21H21NO7S2/c1-15-4-6-16(7-5-15)30(23,24)21(19-3-2-10-27-19)14-22-31(25,26)17-8-9-18-20(13-17)29-12-11-28-18/h2-10,13,21-22H,11-12,14H2,1H3/t21-/m1/s1