N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)butyramide Formula: C25H24FN3O3S2 MolecularWeight: 497.604763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H24FN3O3S2/c1-17-8-13-22-24(18(17)2)28-25(33-22)29(16-20-6-3-4-14-27-20)23(30)7-5-15-34(31,32)21-11-9-19(26)10-12-21/h3-4,6,8-14H,5,7,15-16H2,1-2H3