3-bromanyl-N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-4-methoxy-benzamide; methanesulfonate

Systemtic Name: 3-bromanyl-N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-4-methoxy-benzamide; methanesulfonate Openeye Name: 3-bromo-N-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-4-methoxy-benzamide; methanesulfonate CAS Name: 3-bromo-N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-4-methoxybenzamide; methanesulfonate IUPAC Name: 3-bromo-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methoxybenzamide; methanesulfonate Traditional Name: 3-bromo-N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-4-methoxy-benzamide mesylate Formula: C23H27BrFN2O6S- MolecularWeight: 558.437683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)Br.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)Br.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H24BrFN2O3.CH4O3S/c1-29-20-7-4-17(14-19(20)23)22(28)25-10-13-26-11-8-16(9-12-26)21(27)15-2-5-18(24)6-3-15;1-5(2,3)4/h2-7,14,16H,8-13H2,1H3,(H,25,28);1H3,(H,2,3,4)/p-1