[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H30FN3O5S MolecularWeight: 491.575503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O5S/c1-17(22(29)26-24(2,3)4)33-23(30)18-6-5-7-21(16-18)34(31,32)28-14-12-27(13-15-28)20-10-8-19(25)9-11-20/h5-11,16-17H,12-15H2,1-4H3,(H,26,29)