methyl 3-[(cyclohexylcarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: methyl 3-[(cyclohexylcarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: methyl 3-[(cyclohexanecarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 3-[[[cyclohexyl(oxo)methyl]amino]methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(cyclohexanecarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 3-[(cyclohexanecarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C3CCCCC3

InChI

InChI=1S/C22H25FN2O5S/c1-30-22(27)17-11-15(14-24-21(26)16-5-3-2-4-6-16)12-19(13-17)25-31(28,29)20-9-7-18(23)8-10-20/h7-13,16,25H,2-6,14H2,1H3,(H,24,26)