4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]pentanamide

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]pentanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methyl-2-(tosylamino)valeramide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-14(2)12-19(23-31(29,30)18-10-4-15(3)5-11-18)21(26)22-13-20(25)16-6-8-17(9-7-16)24(27)28/h4-11,14,19-20,23,25H,12-13H2,1-3H3,(H,22,26)