(2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: (2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: (2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: (2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: (2S)-2-(phenylthio)-1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)SC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)SC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S3/c1-14(27-15-6-3-2-4-7-15)19(24)22-10-12-23(13-11-22)29(25,26)17-9-5-8-16-18(17)21-28-20-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1