N-(4-bromanyl-3-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propionamide Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Br

InChI

InChI=1S/C24H23BrN2O5S/c1-16-13-18(7-9-20(16)25)26-24(28)21(14-17-5-3-2-4-6-17)27-33(29,30)19-8-10-22-23(15-19)32-12-11-31-22/h2-10,13,15,21,27H,11-12,14H2,1H3,(H,26,28)