butyl 4-[[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(5-fluoro-2-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(5-fluoro-2-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H29FN2O6S MolecularWeight: 528.592363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29FN2O6S/c1-3-4-16-36-27(32)20-10-13-22(14-11-20)29-26(31)23(17-19-8-6-5-7-9-19)30-37(33,34)25-18-21(28)12-15-24(25)35-2/h5-15,18,23,30H,3-4,16-17H2,1-2H3,(H,29,31)