N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C22H25ClFN3O3S2 MolecularWeight: 498.033603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFN3O3S2/c1-3-26(4-2)12-13-27(22-25-19-10-5-16(23)15-20(19)31-22)21(28)11-14-32(29,30)18-8-6-17(24)7-9-18/h5-10,15H,3-4,11-14H2,1-2H3