propyl (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: propyl (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: propyl (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: (2S)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid propyl ester IUPAC Name: propyl (2S)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid propyl ester Formula: C18H27N3O7S MolecularWeight: 429.48788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O7S/c1-4-9-28-18(22)17(13(2)3)19-15-6-5-14(12-16(15)21(23)24)29(25,26)20-7-10-27-11-8-20/h5-6,12-13,17,19H,4,7-11H2,1-3H3/t17-/m0/s1