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

Systemtic Name: 2-bromanyl-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-bromo-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-bromo-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-bromo-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-bromo-N-(2-diethylaminoethyl)-N-(4-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=CC=C2S(=O)(=O)C)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=CC=C3Br

InChI

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