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

Systemtic Name: (2S)-2-[(4-ethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[(4-ethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[(4-ethylphenyl)sulfonylamino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[(4-ethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-[(4-ethylphenyl)sulfonylamino]-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C17H23N3O3S3 MolecularWeight: 413.57782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C17H23N3O3S3/c1-3-13-4-6-15(7-5-13)26(22,23)20-16(8-9-24-2)17(21)18-10-14-11-25-12-19-14/h4-7,11-12,16,20H,3,8-10H2,1-2H3,(H,18,21)/t16-/m0/s1