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

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butyramide Formula: C20H25ClN2O4S2 MolecularWeight: 457.0065

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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(=C(C=C2)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O4S2/c1-13-5-6-14(2)19(11-13)29(25,26)23-17(9-10-28-4)20(24)22-15-7-8-18(27-3)16(21)12-15/h5-8,11-12,17,23H,9-10H2,1-4H3,(H,22,24)/t17-/m0/s1