3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(8-methylquinolin-5-yl)propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(8-methylquinolin-5-yl)propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(8-methyl-5-quinolyl)propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(8-methyl-5-quinolinyl)propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(8-methylquinolin-5-yl)propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(8-methyl-5-quinolyl)propionamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C=CC=N2

InChI

InChI=1S/C21H20N2O5S/c1-14-4-6-17(16-3-2-9-22-21(14)16)23-20(24)8-12-29(25,26)15-5-7-18-19(13-15)28-11-10-27-18/h2-7,9,13H,8,10-12H2,1H3,(H,23,24)