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(1S,4S)-N-(But-3''-enyl)-N'-(4'',4''-diethoxybutyl)-N,N'-dinosylcyclopent-4-ene-1,3-diamine
SpectraBase Compound ID BeOkLLjOv8l
InChI InChI=1S/C29H38N4O10S2/c1-4-7-20-30(44(38,39)27-15-10-8-13-25(27)32(34)35)23-18-19-24(22-23)31(21-12-17-29(42-5-2)43-6-3)45(40,41)28-16-11-9-14-26(28)33(36)37/h4,8-11,13-16,18-19,23-24,29H,1,5-7,12,17,20-22H2,2-3H3/t23-,24-/m1/s1
InChIKey PTZHTBHYIFZEFT-DNQXCXABSA-N
Mol Weight 666.8 g/mol
Molecular Formula C29H38N4O10S2
Exact Mass 666.202936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERhOIP3o30l
Name (1S,4S)-N-(But-3''-enyl)-N'-(4'',4''-diethoxybutyl)-N,N'-dinosylcyclopent-4-ene-1,3-diamine
Alternate Name(s) N-[(1S,4S)-4-[but-3-enyl-(2-nitrophenyl)sulfonylamino]-1-cyclopent-2-enyl]-N-(4,4-diethoxybutyl)-2-nitrobenzenesulfonamide N-[(1S,4S)-4-[but-3-enyl-(2-nitrophenyl)sulfonylamino]cyclopent-2-en-1-yl]-N-(4,4-diethoxybutyl)-2-nitrobenzenesulfonamide
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Formula C29H38N4O10S2
InChI InChI=1S/C29H38N4O10S2/c1-4-7-20-30(44(38,39)27-15-10-8-13-25(27)32(34)35)23-18-19-24(22-23)31(21-12-17-29(42-5-2)43-6-3)45(40,41)28-16-11-9-14-26(28)33(36)37/h4,8-11,13-16,18-19,23-24,29H,1,5-7,12,17,20-22H2,2-3H3/t23-,24-/m1/s1
InChIKey PTZHTBHYIFZEFT-DNQXCXABSA-N
Molecular Weight 666.761 g/mol
SMILES c1(S(N([C@]2(C[C@](N(S(c3c(N(=O)=O)cccc3)(=O)=O)CCCC(OCC)OCC)(C=C2)[H])[H])CCC=C)(=O)=O)c(N(=O)=O)cccc1
SPLASH splash10-000i-6906400000-8cf3fa068799b1ecbf23
Source of Spectrum C-122-9589-14
Wiley ID 1700463