[3-(1-methylpiperidin-4-yl)carbonylphenyl] 3-bromanylbenzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 3-bromanylbenzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrNO4S/c1-21-10-8-14(9-11-21)19(22)15-4-2-6-17(12-15)25-26(23,24)18-7-3-5-16(20)13-18/h2-7,12-14H,8-11H2,1H3