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

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-o-anisyl-butyramide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC2=CC=CC=C2OC

InChI

InChI=1S/C21H28N2O4S2/c1-15-9-10-16(2)20(13-15)29(25,26)23-18(11-12-28-4)21(24)22-14-17-7-5-6-8-19(17)27-3/h5-10,13,18,23H,11-12,14H2,1-4H3,(H,22,24)/t18-/m0/s1