[4-(4-iodophenyl)phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(4-iodophenyl)phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate Openeye Name: [4-(4-iodophenyl)phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-methylsulfonyl-3-piperidinecarboxylic acid [4-(4-iodophenyl)phenyl] ester IUPAC Name: [4-(4-iodophenyl)phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-mesylnipecotic acid [4-(4-iodophenyl)phenyl] ester Formula: C19H20INO4S MolecularWeight: 485.33587

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)I

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H20INO4S/c1-26(23,24)21-12-2-3-16(13-21)19(22)25-18-10-6-15(7-11-18)14-4-8-17(20)9-5-14/h4-11,16H,2-3,12-13H2,1H3/t16-/m0/s1