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

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-iodanylbenzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-iodobenzenesulfonate CAS Name: 4-iodobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-iodobenzenesulfonate Traditional Name: 4-iodobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C19H20INO4S MolecularWeight: 485.33587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20INO4S/c1-21-11-9-14(10-12-21)19(22)15-3-2-4-17(13-15)25-26(23,24)18-7-5-16(20)6-8-18/h2-8,13-14H,9-12H2,1H3