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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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