2-[(1S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-(4-piazthiol-4-ylsulfonylpiperazino)ethyl]-1H-quinazolin-4-one Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H20N6O3S2/c1-13(19-21-15-6-3-2-5-14(15)20(27)22-19)25-9-11-26(12-10-25)31(28,29)17-8-4-7-16-18(17)24-30-23-16/h2-8,13H,9-12H2,1H3,(H,21,22,27)/t13-/m0/s1