N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H21FN2O6S2 MolecularWeight: 492.540343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O6S2/c1-15-11-17(4-6-19(15)23)32(26,27)22(16-3-2-8-24-13-16)14-25-33(28,29)18-5-7-20-21(12-18)31-10-9-30-20/h2-8,11-13,22,25H,9-10,14H2,1H3/t22-/m1/s1