2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-oxidanyl-propanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-oxidanyl-propanamide Openeye Name: 1-[2-(hydroxyamino)-1-methyl-2-oxo-ethyl]-1-[(4-nitrophenyl)methyl]-3-(p-tolylsulfonyl)urea CAS Name: N-hydroxy-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]-[(4-nitrophenyl)methyl]amino]propanamide IUPAC Name: N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]propanamide Traditional Name: 1-[2-(hydroxyamino)-2-keto-1-methyl-ethyl]-1-(4-nitrobenzyl)-3-tosyl-urea Formula: C18H20N4O7S MolecularWeight: 436.439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(C)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(C)C(=O)NO

InChI

InChI=1S/C18H20N4O7S/c1-12-3-9-16(10-4-12)30(28,29)20-18(24)21(13(2)17(23)19-25)11-14-5-7-15(8-6-14)22(26)27/h3-10,13,25H,11H2,1-2H3,(H,19,23)(H,20,24)