N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonylbenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-mesyl-benzamide Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S2/c1-22(2)9-10-23(19-21-16-8-7-14(20)12-17(16)27-19)18(24)13-5-4-6-15(11-13)28(3,25)26/h4-8,11-12H,9-10H2,1-3H3