(5-oxidanyl-7aH-1,2-benzothiazol-2-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (5-oxidanyl-7aH-1,2-benzothiazol-2-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (5-hydroxy-7aH-1,2-benzothiazol-2-yl) 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid (5-hydroxy-7aH-1,2-benzothiazol-2-yl) ester IUPAC Name: (5-hydroxy-7aH-1,2-benzothiazol-2-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid (5-hydroxy-7aH-1,2-benzothiazol-2-yl) ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)ON2C=C3C=C(C=CC3S2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)ON2C=C3C=C(C=CC3S2)O

InChI

InChI=1S/C17H18N2O5S2/c1-11-3-6-15(7-4-11)26(22,23)18-12(2)17(21)24-19-10-13-9-14(20)5-8-16(13)25-19/h3-10,12,16,18,20H,1-2H3