N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C19H19FN2O3S2 MolecularWeight: 406.494163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

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