3-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-oxidanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)N(CCC(=O)NO)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)N(CCC(=O)NO)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S/c1-13-4-2-3-5-16(13)30(28,29)20-18(24)21(11-10-17(23)19-25)12-14-6-8-15(9-7-14)22(26)27/h2-9,25H,10-12H2,1H3,(H,19,23)(H,20,24)