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

Systemtic Name: N-(2-diethylaminoethyl)-3-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-3-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-3-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-diethylaminoethyl)-3-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-3-mesyl-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3O5S3 MolecularWeight: 509.66188

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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(=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S3/c1-5-24(6-2)12-13-25(21(26)16-8-7-9-17(14-16)32(3,27)28)22-23-19-11-10-18(33(4,29)30)15-20(19)31-22/h7-11,14-15H,5-6,12-13H2,1-4H3