N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonyl)acetamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-tosyl-acetamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C22H27N3O3S2/c1-16-6-9-18(10-7-16)30(27,28)15-21(26)25(13-5-12-24(3)4)22-23-19-11-8-17(2)14-20(19)29-22/h6-11,14H,5,12-13,15H2,1-4H3