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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-methylsulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-methylsulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-methylsulfonylbenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-methylsulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-mesyl-benzamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O3S2/c1-4-24(5-2)12-13-25(21-23-17-11-10-15(22)14-18(17)29-21)20(26)16-8-6-7-9-19(16)30(3,27)28/h6-11,14H,4-5,12-13H2,1-3H3