lithium 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C27H35LiN2O5S2 MolecularWeight: 538.6482

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CS(=O)(=O)NCC3CCCCC3)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CS(=O)(=O)NCC3CCCCC3)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C27H36N2O5S2.Li/c1-19-8-6-7-11-22(19)24-16-21(18-36(33,34)28-17-20-9-4-3-5-10-20)12-13-23(24)26(30)29-25(27(31)32)14-15-35-2;/h6-8,11-13,16,20,25,28H,3-5,9-10,14-15,17-18H2,1-2H3,(H,29,30)(H,31,32);/q;+1/p-1