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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-besyl-N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-4-17-10-8-13-19-21(17)23-22(29-19)25(15-9-14-24(2)3)20(26)16-30(27,28)18-11-6-5-7-12-18/h5-8,10-13H,4,9,14-16H2,1-3H3