ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-(brosylamino)-3-phenyl-propanoyl]amino]benzoic acid ethyl ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H23BrN2O5S/c1-2-32-24(29)18-9-6-10-20(16-18)26-23(28)22(15-17-7-4-3-5-8-17)27-33(30,31)21-13-11-19(25)12-14-21/h3-14,16,22,27H,2,15H2,1H3,(H,26,28)