methyl 2,4-bis(fluoranyl)-5-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 2,4-difluoro-5-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[(3-piperidinosulfonylthiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H18F2N2O5S2 MolecularWeight: 444.472726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H18F2N2O5S2/c1-27-18(24)11-9-14(13(20)10-12(11)19)21-17(23)16-15(5-8-28-16)29(25,26)22-6-3-2-4-7-22/h5,8-10H,2-4,6-7H2,1H3,(H,21,23)