1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O4S2/c1-13(2)19(22-28(24,25)15-10-8-14(3)9-11-15)20(23)26-12-18-21-16-6-4-5-7-17(16)27-18/h4-11,13,19,22H,12H2,1-3H3/t19-/m0/s1