1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-(3-acetylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-isonipecotate Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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