3-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-tert-butylphenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O4S2/c1-21(2,3)14-5-7-15(8-6-14)27-12-11-19(24)23-20-22-17-10-9-16(29(4,25)26)13-18(17)28-20/h5-10,13H,11-12H2,1-4H3,(H,22,23,24)