N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-benzamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-benzamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-benzamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonylbenzamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonylbenzamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-esyl-benzamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=CC(=C3C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=CC(=C3C)Cl

InChI

InChI=1S/C22H26ClN3O3S2/c1-5-31(28,29)19-10-7-6-9-16(19)21(27)26(14-8-13-25(3)4)22-24-20-15(2)17(23)11-12-18(20)30-22/h6-7,9-12H,5,8,13-14H2,1-4H3