methyl 2-[2-methylpropyl-(2-phenylphenyl)sulfonyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-methylpropyl-(2-phenylphenyl)sulfonyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[isobutyl-(2-phenylphenyl)sulfonyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[2-methylpropyl-(2-phenylphenyl)sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[2-methylpropyl-(2-phenylphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[isobutyl-(2-phenylphenyl)sulfonyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCSC)C(=O)OC)S(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

CC(C)CN(C(CCSC)C(=O)OC)S(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S2/c1-17(2)16-23(20(14-15-28-4)22(24)27-3)29(25,26)21-13-9-8-12-19(21)18-10-6-5-7-11-18/h5-13,17,20H,14-16H2,1-4H3