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

Systemtic Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(24)23-20-22-17-11-10-16(28(4,25)26)13-18(17)27-20/h5-6,8-11,13H,7,12H2,1-4H3,(H,22,23,24)