[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-16(20(25)22-21(2,3)4)28-19(24)13-10-17-8-11-18(12-9-17)29(26,27)23-14-6-5-7-15-23/h8-9,11-12,16H,5-7,10,13-15H2,1-4H3,(H,22,25)