[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H37N3O5S/c1-18(22(28)25-24(2,3)4)32-23(29)19-11-12-20(26-13-7-5-8-14-26)21(17-19)33(30,31)27-15-9-6-10-16-27/h11-12,17-18H,5-10,13-16H2,1-4H3,(H,25,28)