N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C22H24N4O4S2/c1-14-11-15(2)20-19(12-14)31-22(23-20)24-21(28)17-5-4-6-18(13-17)32(29,30)26-9-7-25(8-10-26)16(3)27/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,28)