(2R)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoic acid Openeye Name: (2R)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoic acid CAS Name: (2R)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid IUPAC Name: (2R)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoic acid Traditional Name: (2R)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O7S/c1-10(2)14(15(19)20)16-12-4-3-11(9-13(12)18(21)22)26(23,24)17-5-7-25-8-6-17/h3-4,9-10,14,16H,5-8H2,1-2H3,(H,19,20)/t14-/m1/s1