methyl 1-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]amino]cycloheptanecarboxylate CAS Name: 1-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C21H28ClFN2O5S MolecularWeight: 474.973823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H28ClFN2O5S/c1-30-20(27)21(10-4-2-3-5-11-21)24-19(26)15-8-12-25(13-9-15)31(28,29)16-6-7-18(23)17(22)14-16/h6-7,14-15H,2-5,8-13H2,1H3,(H,24,26)