methyl 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-30-21(27)16-3-7-18(8-4-16)23-20(26)15-24-11-2-12-25(14-13-24)31(28,29)19-9-5-17(22)6-10-19/h3-10H,2,11-15H2,1H3,(H,23,26)