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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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