1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]carbonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]carbonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[[3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]phenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoyl]-4-phenyl-isonipecotic acid Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N2O6S/c1-18-16-27(17-19(2)33-18)34(31,32)22-10-6-7-20(15-22)23(28)26-13-11-25(12-14-26,24(29)30)21-8-4-3-5-9-21/h3-10,15,18-19H,11-14,16-17H2,1-2H3,(H,29,30)/t18-,19-/m0/s1