N-(4-acetamido-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide CAS Name: N-(4-acetamido-3-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionamide Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-13-11-15(3-5-17(13)21-14(2)23)22-20(24)7-10-29(25,26)16-4-6-18-19(12-16)28-9-8-27-18/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24)