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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(p-tolylsulfonyl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-tosyl-acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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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=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O3S2/c1-16-9-11-17(12-10-16)29(26,27)15-20(25)24(14-6-13-23(2)3)21-22-18-7-4-5-8-19(18)28-21/h4-5,7-12H,6,13-15H2,1-3H3