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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-pyridin-2-yl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-pyridyl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-pyridinyl)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-pyridin-2-ylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-pyridyl)butyramide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21N3O5S/c1-12(2)17(18(22)20-16-5-3-4-8-19-16)21-27(23,24)13-6-7-14-15(11-13)26-10-9-25-14/h3-8,11-12,17,21H,9-10H2,1-2H3,(H,19,20,22)/t17-/m0/s1