(2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(tosylamino)butyramide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O3S2/c1-12(2)17(22-27(24,25)14-10-8-13(3)9-11-14)18(23)21-19-20-15-6-4-5-7-16(15)26-19/h4-12,17,22H,1-3H3,(H,20,21,23)/t17-/m0/s1