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

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone Traditional Name: [2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H22N6O3S2/c1-15-14-17(16(2)28(15)20-8-3-4-9-23-20)22(29)26-10-12-27(13-11-26)33(30,31)19-7-5-6-18-21(19)25-32-24-18/h3-9,14H,10-13H2,1-2H3