2-(tert-butylcarbamoylamino)-N-oxidanyl-3-(4-phenylsulfanylphenyl)sulfonyl-propanamide

Systemtic Name: 2-(tert-butylcarbamoylamino)-N-oxidanyl-3-(4-phenylsulfanylphenyl)sulfonyl-propanamide Openeye Name: 1-tert-butyl-3-[2-(hydroxyamino)-2-oxo-1-[(4-phenylsulfanylphenyl)sulfonylmethyl]ethyl]urea CAS Name: 2-[[(tert-butylamino)-oxomethyl]amino]-N-hydroxy-3-[4-(phenylthio)phenyl]sulfonylpropanamide IUPAC Name: 2-(tert-butylcarbamoylamino)-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide Traditional Name: 1-tert-butyl-3-[2-(hydroxyamino)-2-keto-1-[[4-(phenylthio)phenyl]sulfonylmethyl]ethyl]urea Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)NO

Isomeric SMILES

CC(C)(C)NC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)NO

InChI

InChI=1S/C20H25N3O5S2/c1-20(2,3)22-19(25)21-17(18(24)23-26)13-30(27,28)16-11-9-15(10-12-16)29-14-7-5-4-6-8-14/h4-12,17,26H,13H2,1-3H3,(H,23,24)(H2,21,22,25)