N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethylsulfonyl-benzamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethylsulfonyl-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethylsulfonyl-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethylsulfonylbenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethylsulfonylbenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-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=CC=C2Cl)C(=O)C3=CC=CC=C3S(=O)(=O)CC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3S(=O)(=O)CC

InChI

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