(2S)-N-(2,5-dimethylphenyl)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyramide Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O6S/c1-15(2)22(23(28)25-20-13-16(3)5-6-17(20)4)24-19-8-7-18(14-21(19)27(29)30)34(31,32)26-9-11-33-12-10-26/h5-8,13-15,22,24H,9-12H2,1-4H3,(H,25,28)/t22-/m0/s1