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

Systemtic Name: [3-(1-ethylpiperidin-4-yl)carbonylphenyl] 3-bromanylbenzenesulfonate Openeye Name: [3-(1-ethylpiperidine-4-carbonyl)phenyl] 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid [3-[(1-ethyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-ethylpiperidine-4-carbonyl)phenyl] 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid [3-(1-ethylisonipecotoyl)phenyl] ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrNO4S/c1-2-22-11-9-15(10-12-22)20(23)16-5-3-7-18(13-16)26-27(24,25)19-8-4-6-17(21)14-19/h3-8,13-15H,2,9-12H2,1H3