(2S)-2-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-2-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[(3-chloro-2-methyl-phenyl)sulfonylamino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-[(3-chloro-2-methyl-phenyl)sulfonylamino]-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C16H20ClN3O3S3 MolecularWeight: 433.9963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C16H20ClN3O3S3/c1-11-13(17)4-3-5-15(11)26(22,23)20-14(6-7-24-2)16(21)18-8-12-9-25-10-19-12/h3-5,9-10,14,20H,6-8H2,1-2H3,(H,18,21)/t14-/m0/s1