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

Systemtic Name: methyl 3-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-fluorobenzoate Traditional Name: 3-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H20ClFN2O5S/c1-29-20(26)14-6-8-16(22)17(11-14)23-19(25)13-5-7-15(21)18(12-13)30(27,28)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,25)