(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(2-hydroxy-5-nitro-benzyl)-3-methyl-2-(tosylamino)butyramide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-12(2)18(21-29(27,28)16-7-4-13(3)5-8-16)19(24)20-11-14-10-15(22(25)26)6-9-17(14)23/h4-10,12,18,21,23H,11H2,1-3H3,(H,20,24)/t18-/m0/s1