NCS
中国新化学物质查询
N-[2-氯-5-[(十六磺基)氨基]苯基]-4,4-二甲基-3-氧代-2-[4-[[(4-苯甲氧)苯基]磺基]苯氧基]戊酰胺(N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide)
einecs 260-427-5
CAS号: 56912-29-9
IUPAC名称: N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
分子式: C48H63ClN2O8S2
分子量: 895.60500
InChI: InChI=1S/C48H63ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-60(54,55)51-38-24-33-43(49)44(35-38)50-47(53)45(46(52)48(2,3)4)59-40-27-31-42(32-28-40)61(56,57)41-29-25-39(26-30-41)58-36-37-22-19-18-20-23-37/h18-20,22-33,35,45,51H,5-17,21,34,36H2,1-4H3,(H,50,53)
InChIKey: WUJTWJZEQRSSPU-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
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