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

Systemtic Name: methyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(4-fluorophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid methyl ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C23H21FN2O5S/c1-31-23(28)17-7-11-19(12-8-17)25-22(27)21(15-16-5-3-2-4-6-16)26-32(29,30)20-13-9-18(24)10-14-20/h2-14,21,26H,15H2,1H3,(H,25,27)