(2S)-2-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide

Systemtic Name: (2S)-2-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide Openeye Name: (2S)-2-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]butanamide CAS Name: (2S)-2-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide IUPAC Name: (2S)-2-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide Traditional Name: (2S)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-methyl-butyramide Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O5S/c1-4-10(2)14(18)16-8-7-15-12-6-5-11(23(3,21)22)9-13(12)17(19)20/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,18)/t10-/m0/s1