N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C21H19FN2O6S2 MolecularWeight: 478.513763

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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)OCO3)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)OCO3)C4=CN=CC=C4)F

InChI

InChI=1S/C21H19FN2O6S2/c1-14-9-16(4-6-18(14)22)31(25,26)21(15-3-2-8-23-11-15)12-24-32(27,28)17-5-7-19-20(10-17)30-13-29-19/h2-11,21,24H,12-13H2,1H3/t21-/m1/s1