4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)-2-propyl-phthalazin-1-one Formula: C22H22N6O4S2 MolecularWeight: 498.57788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H22N6O4S2/c1-2-10-28-21(29)16-7-4-3-6-15(16)19(23-28)22(30)26-11-13-27(14-12-26)34(31,32)18-9-5-8-17-20(18)25-33-24-17/h3-9H,2,10-14H2,1H3