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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-ethylsulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-ethylsulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-ethylsulfonylbenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-ethylsulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-esyl-benzamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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

Isomeric SMILES

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

InChI

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