3-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-oxidanyl-propanamide

Systemtic Name: 3-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-oxidanyl-propanamide Openeye Name: 1-[3-[[3-(hydroxyamino)-3-oxo-propyl]-[(4-nitrophenyl)methyl]sulfamoyl]phenyl]-3-(p-tolylsulfonyl)urea CAS Name: N-hydroxy-3-[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide IUPAC Name: N-hydroxy-3-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide Traditional Name: 1-[3-[[3-(hydroxyamino)-3-keto-propyl]-(4-nitrobenzyl)sulfamoyl]phenyl]-3-tosyl-urea Formula: C24H25N5O9S2 MolecularWeight: 591.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(CCC(=O)NO)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(CCC(=O)NO)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O9S2/c1-17-5-11-21(12-6-17)39(35,36)27-24(31)25-19-3-2-4-22(15-19)40(37,38)28(14-13-23(30)26-32)16-18-7-9-20(10-8-18)29(33)34/h2-12,15,32H,13-14,16H2,1H3,(H,26,30)(H2,25,27,31)