methyl 2-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-fluoro-3-piperidinosulfonyl-benzoyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H25FN2O7S MolecularWeight: 480.506503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H25FN2O7S/c1-30-18-12-15(22(27)32-3)17(13-19(18)31-2)24-21(26)14-7-8-16(23)20(11-14)33(28,29)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,24,26)