(2-oxidanylidene-2-phenylazanyl-ethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2-anilino-2-keto-ethyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O5S/c1-16-12-17(2)14-24(13-16)30(27,28)20-10-8-18(9-11-20)22(26)29-15-21(25)23-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)/t16-,17-/m1/s1