[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

InChI

InChI=1S/C22H32N2O6S/c1-22(2,3)30-20(25)16-29-21(26)18-15-17(9-10-19(18)23-11-7-8-12-23)31(27,28)24-13-5-4-6-14-24/h9-10,15H,4-8,11-14,16H2,1-3H3