(2R)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: (2R)-4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: (2R)-4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyrate Formula: C15H20N3O7S2- MolecularWeight: 418.4652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O7S2/c1-26-9-4-13(15(19)20)16-12-3-2-11(10-14(12)18(21)22)27(23,24)17-5-7-25-8-6-17/h2-3,10,13,16H,4-9H2,1H3,(H,19,20)/p-1/t13-/m1/s1