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

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-3-mesyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S2/c1-5-24(6-2)12-13-25(22-23-19-11-10-16(3)14-20(19)29-22)21(26)17-8-7-9-18(15-17)30(4,27)28/h7-11,14-15H,5-6,12-13H2,1-4H3