N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonylbenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonylbenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-mesyl-benzamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H22ClN3O3S2/c1-23(2)12-7-13-24(20-22-18-15(21)9-6-10-16(18)28-20)19(25)14-8-4-5-11-17(14)29(3,26)27/h4-6,8-11H,7,12-13H2,1-3H3