1-(4-methylsulfonylphenyl)carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 1-(4-methylsulfonylphenyl)carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-(4-methylsulfonylbenzoyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(4-methylsulfonylphenyl)-oxomethyl]-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-(4-methylsulfonylbenzoyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(4-mesylbenzoyl)-4-phenyl-isonipecotate Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H21NO5S/c1-27(25,26)17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21,19(23)24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,24)/p-1