(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)-4-(methylthio)butyramide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OC(=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2=CC3=C(C=C2)OC(=N3)C

InChI

InChI=1S/C21H25N3O4S2/c1-13-5-6-14(2)20(11-13)30(26,27)24-17(9-10-29-4)21(25)23-16-7-8-19-18(12-16)22-15(3)28-19/h5-8,11-12,17,24H,9-10H2,1-4H3,(H,23,25)/t17-/m0/s1