Chem
J-GLOBAL ID:201407050013735090
Nikkaji number:J3.281.155H
(S)-4-(4-Nitrophenylsulfonylamino)-4-(3-methoxypropyl)-7-acetoxy-1-heptanol
(S)-4-(4-ニトロフェニルスルホニルアミノ)-4-(3-メトキシプロピル)-7-アセトキシ-1-ヘプタノール
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C19 H30 N[N+]O7 [O-]S
Molecular formula furigana:
C19-H30-N2-O8-S
Molecular weight:
446.520
InChI:
InChI=1S/C19H30N2O8S/c1-16(23)29-15-5-12-19(10-3-13-22,11-4-14-28-2)20-30(26,27)18-8-6-17(7-9-18)21(24)25/h6-9,20,22H,3-5,10-15H2,1-2H3/t19-/m0/s1
InChI key:
CJEDSDPUTSQGHD-IBGZPJMESA-N
SMILES:
COCCC[C@@](CCCO)(CCCOC(=O)C)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name (3):
(S)-4-(4-ニトロフェニルスルホニルアミノ)-4-(3-メトキシプロピル)-7-アセトキシ-1-ヘプタノール
(4S)-7-ヒドロキシ-4-(3-メトキシプロピル)-4-(4-ニトロベンゼンスルホンアミド)ヘプチル アセタート
(4S)-7-hydroxy-4-(3-methoxypropyl)-4-(4-nitrobenzenesulfonamido)heptyl acetate
Other name (1):
(S)-4-(4-Nitrophenylsulfonylamino)-4-(3-methoxypropyl)-7-acetoxy-1-heptanol
Thsaurus map:
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