[(2S)-2-ethylhexyl] 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [(2S)-2-ethylhexyl] 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [(2S)-2-ethylhexyl] 2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]acetic acid [(2S)-2-ethylhexyl] ester IUPAC Name: [(2S)-2-ethylhexyl] 2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]acetic acid [(2S)-2-ethylhexyl] ester Formula: C20H30N2O7S2 MolecularWeight: 474.5914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O7S2/c1-3-5-6-16(4-2)14-29-20(23)15-30-19-8-7-17(13-18(19)22(24)25)31(26,27)21-9-11-28-12-10-21/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3/t16-/m0/s1