Sodium 3-{1-(4-Chlorobenzyl)-5-Isopropyl-3-[(2-Methyl-2-Propanyl)Sulfanyl]-1H-Indol-2-Yl}-2,2-Dimethylpropanoate
[CAS# 118427-55-7]

Identification

• Name: Sodium 3-{1-(4-Chlorobenzyl)-5-Isopropyl-3-[(2-Methyl-2-Propanyl)Sulfanyl]-1H-Indol-2-Yl}-2,2-Dimethylpropanoate
• Synonyms: " 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid, sodium salt" ; 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid, sodium salt; 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionate
• Molecular Formula: C₂₇H₃₃ClNNaO₂S
• Molecular Weight: 494.06
• CAS Registry Number: 118427-55-7
• SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-])CC3=CC=C(C=C3)Cl.[Na+]
• InChI: 1S/C27H34ClNO2S.Na/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18;/h8-14,17H,15-16H2,1-7H3,(H,30,31);/q;+1/p-1
• InChIKey: CBNCIYNCWVGEKJ-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)