N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S2/c1-15-4-7-17(8-5-15)30(27,28)13-10-20(26)25(12-11-24(2)3)21-23-18-9-6-16(22)14-19(18)29-21/h4-9,14H,10-13H2,1-3H3