N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(2-benzoyl-4-bromo-phenyl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(2-benzoyl-4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(2-benzoyl-4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(2-benzoyl-4-bromo-phenyl)-3-(tosylamino)propionamide Formula: C23H21BrN2O4S MolecularWeight: 501.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O4S/c1-16-7-10-19(11-8-16)31(29,30)25-14-13-22(27)26-21-12-9-18(24)15-20(21)23(28)17-5-3-2-4-6-17/h2-12,15,25H,13-14H2,1H3,(H,26,27)