[4-(4-fluorophenyl)carbonylphenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C26H24FNO7S MolecularWeight: 513.534663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H24FNO7S/c1-16(2)24(28-36(31,32)21-11-12-22-23(15-21)34-14-13-33-22)26(30)35-20-9-5-18(6-10-20)25(29)17-3-7-19(27)8-4-17/h3-12,15-16,24,28H,13-14H2,1-2H3