methyl 2,4-bis(fluoranyl)-5-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2,4-difluoro-5-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C18H18F2N2O5S2 MolecularWeight: 444.472726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18F2N2O5S2/c1-27-18(24)12-9-15(14(20)10-13(12)19)21-17(23)11-4-6-22(7-5-11)29(25,26)16-3-2-8-28-16/h2-3,8-11H,4-7H2,1H3,(H,21,23)