3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-fluoranyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-fluoranyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propionamide Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)C

InChI

InChI=1S/C18H18FN3O3S2/c1-11-3-5-14(9-12(11)2)27(24,25)20-8-7-17(23)22-18-21-15-6-4-13(19)10-16(15)26-18/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22,23)