ethyl 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[(2-chloro-6-fluorophenyl)methyl-methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-chloro-6-fluoro-benzyl)-methyl-carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H26ClFN2O5S MolecularWeight: 496.979343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H26ClFN2O5S/c1-3-32-23(29)17-7-9-18(10-8-17)33(30,31)27-13-11-16(12-14-27)22(28)26(2)15-19-20(24)5-4-6-21(19)25/h4-10,16H,3,11-15H2,1-2H3