2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-piazthiol-4-ylsulfonylpiperazino)ethanone Formula: C21H25N5O3S2 MolecularWeight: 459.5849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H25N5O3S2/c1-14-12-17(15(2)26(14)16-6-7-16)19(27)13-24-8-10-25(11-9-24)31(28,29)20-5-3-4-18-21(20)23-30-22-18/h3-5,12,16H,6-11,13H2,1-2H3