N-(2-diethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butyramide Formula: C23H28FN3O3S2 MolecularWeight: 477.615123

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28FN3O3S2/c1-3-26(4-2)14-15-27(23-25-20-13-12-18(24)17-21(20)31-23)22(28)11-8-16-32(29,30)19-9-6-5-7-10-19/h5-7,9-10,12-13,17H,3-4,8,11,14-16H2,1-2H3