2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C19H23N3O6S2/c1-13-3-6-16(7-4-13)30(27,28)21-17(9-10-29-2)19(24)20-12-14-11-15(22(25)26)5-8-18(14)23/h3-8,11,17,21,23H,9-10,12H2,1-2H3,(H,20,24)