(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(1R)-1-phenylethyl]butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(1R)-1-phenylethyl]butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(1R)-1-phenylethyl]butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-[(1R)-1-phenylethyl]butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(1R)-1-phenylethyl]butanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-[(1R)-1-phenylethyl]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)NC(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-15-10-11-16(2)20(14-15)28(25,26)23-19(12-13-27-4)21(24)22-17(3)18-8-6-5-7-9-18/h5-11,14,17,19,23H,12-13H2,1-4H3,(H,22,24)/t17-,19+/m1/s1