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

Systemtic Name: methyl 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(cyclohexylmethylsulfamoylmethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C28H38N2O5S2 MolecularWeight: 546.74172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CS(=O)(=O)NCC3CCCCC3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CS(=O)(=O)NCC3CCCCC3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C28H38N2O5S2/c1-20-9-7-8-12-23(20)25-17-22(19-37(33,34)29-18-21-10-5-4-6-11-21)13-14-24(25)27(31)30-26(15-16-36-3)28(32)35-2/h7-9,12-14,17,21,26,29H,4-6,10-11,15-16,18-19H2,1-3H3,(H,30,31)