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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C19H19FN2O3S2 MolecularWeight: 406.494163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H19FN2O3S2/c1-12-5-10-16-18(13(12)2)22-19(26-16)21-17(23)4-3-11-27(24,25)15-8-6-14(20)7-9-15/h5-10H,3-4,11H2,1-2H3,(H,21,22,23)