methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-fluorobenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23FN2O5S/c1-29-21(26)16-9-10-18(22)19(14-16)23-20(25)15-7-6-8-17(13-15)30(27,28)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)