methyl 4-[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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