butyl 2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(p-tolylsulfonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(tosylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H20N2O4S2/c1-3-4-11-25-18(22)14-7-10-16-17(12-14)26-19(20-16)21-27(23,24)15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)