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

Systemtic Name: 1,2-benzothiazol-4-yl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: 1,2-benzothiazol-4-yl 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid 1,2-benzothiazol-4-yl ester IUPAC Name: 1,2-benzothiazol-4-yl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid 1,2-benzothiazol-4-yl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C3C=NSC3=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C3C=NSC3=CC=C2

InChI

InChI=1S/C19H20N2O4S2/c1-12(2)18(21-27(23,24)14-9-7-13(3)8-10-14)19(22)25-16-5-4-6-17-15(16)11-20-26-17/h4-12,18,21H,1-3H3