(2S)-N-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-N-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H28N2O3S2/c1-14-6-7-17(4)20(13-14)28(25,26)23-19(8-9-27-5)21(24)22-18-11-15(2)10-16(3)12-18/h6-7,10-13,19,23H,8-9H2,1-5H3,(H,22,24)/t19-/m0/s1