(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-(tosylamino)butyramide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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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=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H24N4O4S2/c1-12(2)19(25-31(28,29)16-8-5-13(3)6-9-16)20(27)24-21-23-17-10-7-15(22-14(4)26)11-18(17)30-21/h5-12,19,25H,1-4H3,(H,22,26)(H,23,24,27)/t19-/m0/s1