[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperazino]-(3-mesylphenyl)methanone Formula: C19H19N3O3S2 MolecularWeight: 401.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S2/c1-27(24,25)15-6-4-5-14(13-15)18(23)21-9-11-22(12-10-21)19-20-16-7-2-3-8-17(16)26-19/h2-8,13H,9-12H2,1H3