2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isopentyl)amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isoamyl)amino]-N-(4-fluorophenyl)acetamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25FN2O5S/c1-15(2)9-10-24(14-21(25)23-17-5-3-16(22)4-6-17)30(26,27)18-7-8-19-20(13-18)29-12-11-28-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)