N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-methylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-methylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-methylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-methylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-mesyl-benzamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H26ClN3O3S2/c1-5-25(6-2)12-13-26(21(27)16-8-7-9-17(14-16)31(4,28)29)22-24-19-15(3)10-11-18(23)20(19)30-22/h7-11,14H,5-6,12-13H2,1-4H3