butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(4-fluorophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C26H27FN2O5S MolecularWeight: 498.566383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H27FN2O5S/c1-2-3-17-34-26(31)20-9-13-22(14-10-20)28-25(30)24(18-19-7-5-4-6-8-19)29-35(32,33)23-15-11-21(27)12-16-23/h4-16,24,29H,2-3,17-18H2,1H3,(H,28,30)