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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonyl-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonylbenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-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=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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