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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonyl-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonyl-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonylbenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonylbenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-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=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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