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

Systemtic Name: butyl (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: butyl (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: (2S)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid butyl ester IUPAC Name: butyl (2S)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid butyl ester Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O7S/c1-4-5-10-29-19(23)18(14(2)3)20-16-7-6-15(13-17(16)22(24)25)30(26,27)21-8-11-28-12-9-21/h6-7,13-14,18,20H,4-5,8-12H2,1-3H3/t18-/m0/s1