N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C21H23ClFN3O3S2 MolecularWeight: 484.007023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23ClFN3O3S2/c1-25(2)12-13-26(21-24-20-17(22)5-3-6-18(20)30-21)19(27)7-4-14-31(28,29)16-10-8-15(23)9-11-16/h3,5-6,8-11H,4,7,12-14H2,1-2H3