4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(2-chloro-6-fluoro-benzyl)sulfonylisonipecotoyl]amino]benzoic acid Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H20ClFN2O5S/c21-17-2-1-3-18(22)16(17)12-30(28,29)24-10-8-13(9-11-24)19(25)23-15-6-4-14(5-7-15)20(26)27/h1-7,13H,8-12H2,(H,23,25)(H,26,27)