(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-N-(phenylmethyl)butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-N-(phenylmethyl)butanamide Openeye Name: (2S)-N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-N-(phenylmethyl)butanamide IUPAC Name: (2S)-N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethylbutanamide Traditional Name: (2S)-N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15(2)20(21(24)23(3)14-16-7-5-4-6-8-16)22-29(25,26)17-9-10-18-19(13-17)28-12-11-27-18/h4-10,13,15,20,22H,11-12,14H2,1-3H3/t20-/m0/s1