methyl 4-fluoranyl-3-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoate CAS Name: 4-fluoro-3-[[[2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-fluoro-3-[[2-methyl-5-(2-methylpiperidino)sulfonyl-benzoyl]amino]benzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C22H25FN2O5S/c1-14-7-9-17(31(28,29)25-11-5-4-6-15(25)2)13-18(14)21(26)24-20-12-16(22(27)30-3)8-10-19(20)23/h7-10,12-13,15H,4-6,11H2,1-3H3,(H,24,26)