methyl 4-[[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H24ClFN2O5S/c1-25(14-15-3-5-17(6-4-15)22(28)31-2)21(27)16-9-11-26(12-10-16)32(29,30)18-7-8-20(24)19(23)13-18/h3-8,13,16H,9-12,14H2,1-2H3