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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-methyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-methyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methylbutanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-methylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-methyl-butyramide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(N=CC=C1)N(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)C(C(=O)NCC1=C(N=CC=C1)N(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H28N4O5S/c1-14(2)19(21(26)23-13-15-6-5-9-22-20(15)25(3)4)24-31(27,28)16-7-8-17-18(12-16)30-11-10-29-17/h5-9,12,14,19,24H,10-11,13H2,1-4H3,(H,23,26)