(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-3-methyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-3-methyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-3-methylbutanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-3-methylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-3-methyl-butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H26N2O5S/c1-13(2)20(21(24)22-16-10-14(3)9-15(4)11-16)23-29(25,26)17-5-6-18-19(12-17)28-8-7-27-18/h5-6,9-13,20,23H,7-8H2,1-4H3,(H,22,24)/t20-/m0/s1