methyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-4-fluorobenzoate Traditional Name: 3-[[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)C

InChI

InChI=1S/C22H25FN2O5S/c1-14-10-15(2)13-25(12-14)31(28,29)18-7-4-16(5-8-18)21(26)24-20-11-17(22(27)30-3)6-9-19(20)23/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,24,26)