N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonylbenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-mesyl-benzamide Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H22BrN3O3S2/c1-23(2)11-6-12-24(20-22-16-10-9-14(21)13-17(16)28-20)19(25)15-7-4-5-8-18(15)29(3,26)27/h4-5,7-10,13H,6,11-12H2,1-3H3