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

Systemtic Name: 4-bromanyl-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-bromo-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-bromo-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-bromo-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-bromo-N-(2-diethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S2/c1-4-24(5-2)12-13-25(20(26)15-6-8-16(22)9-7-15)21-23-18-11-10-17(30(3,27)28)14-19(18)29-21/h6-11,14H,4-5,12-13H2,1-3H3